| Year |
Citation |
Score |
| 2024 |
Baykov SV, Semenov AV, Presnukhina SI, Tarasenko MV, Shetnev AA, Frontera A, Boyarskiy VP, Kukushkin VY. Hybrid 2D Supramolecular Organic Frameworks (SOFs) Assembled by the Cooperative Action of Hydrogen and Halogen Bonding and π⋯π Stacking Interactions. International Journal of Molecular Sciences. 25. PMID 38396739 DOI: 10.3390/ijms25042062 |
0.422 |
|
| 2023 |
Majumdar D, Frontera A, Roy S, Sutradhar D. Experimental and Theoretical Survey of Intramolecular Spodium Bonds/σ/π-Holes and Noncovalent Interactions in Trinuclear Zn(II)-Salen Type Complex with OCN Ions: A Holistic View in Crystal Engineering. Acs Omega. 9: 1786-1797. PMID 38222609 DOI: 10.1021/acsomega.3c08422 |
0.441 |
|
| 2023 |
Al-Wahaibi LH, Alagappan K, Gomila RM, Blacque O, Frontera A, Percino MJ, El-Emam AA, Thamotharan S. A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione--Mannich derivatives: bioactivity and molecular docking. Rsc Advances. 13: 34064-34077. PMID 38019986 DOI: 10.1039/d3ra07169c |
0.373 |
|
| 2023 |
Beccaria R, Dhaka A, Calabrese M, Pizzi A, Frontera A, Resnati G. Chalcogen and Hydrogen Bond Team up in Driving Anion···Anion Self-Assembly. Chemistry (Weinheim An Der Bergstrasse, Germany). e202303641. PMID 38019113 DOI: 10.1002/chem.202303641 |
0.402 |
|
| 2023 |
Burguera S, Bauzá A, Frontera A. Tuning the Nucleophilicity and Electrophilicity of Group 10 Elements through Substituent Effects: A DFT Study. International Journal of Molecular Sciences. 24. PMID 37958580 DOI: 10.3390/ijms242115597 |
0.356 |
|
| 2023 |
Burguera S, Frontera A, Bauzá A. Biological noncovalent N/O⋯V interactions: insights from theory and protein data bank analyses. Physical Chemistry Chemical Physics : Pccp. 25: 30040-30048. PMID 37905702 DOI: 10.1039/d3cp04571d |
0.338 |
|
| 2023 |
Burguera S, Sahu AK, Frontera A, Biswal HS, Bauza A. Spodium Bonds Involving Methylmercury and Ethylmercury in Proteins: Insights from X-ray Analysis and Computations. Inorganic Chemistry. 62: 18524-18532. PMID 37902775 DOI: 10.1021/acs.inorgchem.3c02716 |
0.441 |
|
| 2023 |
Ghinato S, Giordana A, Diana E, Gomila RM, Priola E, Frontera A. Synthesis, X-ray characterization and DFT analysis of dicyanidoaurate telluronium salts: on the importance of charge assisted chalcogen bonds. Dalton Transactions (Cambridge, England : 2003). PMID 37854010 DOI: 10.1039/d3dt02787b |
0.321 |
|
| 2023 |
Do CD, Pál D, Belyaev A, Pupier M, Kiesilä A, Kalenius E, Galmés B, Frontera A, Poblador-Bahamonde A, Cougnon FBL. Sulfate-induced large amplitude conformational change in a Solomon link. Chemical Communications (Cambridge, England). PMID 37830390 DOI: 10.1039/d3cc04555b |
0.329 |
|
| 2023 |
Bera S, Bhunia S, Gomila RM, Drew MGB, Frontera A, Chattopadhyay S. Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces. Rsc Advances. 13: 29568-29583. PMID 37818264 DOI: 10.1039/d3ra03828a |
0.423 |
|
| 2023 |
Burguera S, Bauzá A, Frontera A. Hg(II)⋅d [M] Interactions: Are they Metallophilic Interactions or Spodium Bonds? Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300585. PMID 37792318 DOI: 10.1002/cphc.202300585 |
0.317 |
|
| 2023 |
Rubert L, Islam MF, Greytak AB, Prakash R, Smith MD, Gomila RM, Frontera A, Shimizu LS, Soberats B. Two-Dimensional Supramolecular Polymerization of a Bis-Urea Macrocycle into a Brick-Like Hydrogen-Bonded Network. Angewandte Chemie (International Ed. in English). e202312223. PMID 37750233 DOI: 10.1002/anie.202312223 |
0.327 |
|
| 2023 |
Mousavi H, García-Rubiño ME, Choquesillo-Lazarte D, Castiñeiras A, Lezama L, Frontera A, Niclós-Gutiérrez J. H(N3)dap (Hdap = 2,6-Diaminopurine) Recognition by Cu(EGTA): Structure, Physical Properties, and Density Functional Theory Calculations of [Cu(μ-EGTA)(μ-H(N3)dap)(HO)]·7HO. Molecules (Basel, Switzerland). 28. PMID 37687091 DOI: 10.3390/molecules28176263 |
0.33 |
|
| 2023 |
Rosales-Martínez C, Matilla-Hernádez A, Choquesillo-Lazarte D, Frontera A, Castiñeiras A, Niclós-Gutiérrez J. The Copper(II)-Thiodiacetate (tda) Chelate as Efficient Receptor of N9-(2-Hydroxyethyl)Adenine (9heade): Synthesis, Molecular and Crystal Structures, Physical Properties and DFT Calculations of [Cu(tda)(9heade)(HO)]·2HO. Molecules (Basel, Switzerland). 28. PMID 37570799 DOI: 10.3390/molecules28155830 |
0.385 |
|
| 2023 |
Calabrese M, Gomila RM, Pizzi A, Frontera A, Resnati G. Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron Density Acceptors. Chemistry (Weinheim An Der Bergstrasse, Germany). e202302176. PMID 37518768 DOI: 10.1002/chem.202302176 |
0.502 |
|
| 2023 |
Karmakar M, Sk W, Gomila RM, Drew MGB, Frontera A, Chattopadhyay S. An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with NOdonor salicylidine Schiff base ligands. Rsc Advances. 13: 21211-21224. PMID 37456548 DOI: 10.1039/d3ra04044e |
0.404 |
|
| 2023 |
Biskup D, Bergmann T, Schnakenburg G, Gomila RM, Frontera A, Streubel R. Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination. Rsc Advances. 13: 21313-21317. PMID 37456542 DOI: 10.1039/d3ra04352e |
0.401 |
|
| 2023 |
Calabrese M, Pizzi A, Daolio A, Ursini M, Frontera A, Demitri N, Lenczyk C, Wojciechowski J, Resnati G. Geminal Charge-Assisted Tetrel Bonds in Bis-Pyridinium Methylene Salts. Crystal Growth & Design. 23: 1898-1902. PMID 37426903 DOI: 10.1021/acs.cgd.2c01386 |
0.429 |
|
| 2023 |
Calabrese M, Pizzi A, Beccaria R, Frontera A, Resnati G. Halogen Bonding Assembles Anion⋅⋅⋅Anion Architectures in Non-centrosymmetric Iodate and Bromate Crystals. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300298. PMID 37306232 DOI: 10.1002/cphc.202300298 |
0.316 |
|
| 2023 |
Giordana A, Gomila RM, Rabezzana R, Laurenti E, Priola E, Eftekhari-Sis B, Mahmoudi G, Frontera A. Hydrogen Bonding, π-Stacking, and Aurophilic Interactions in Two Dicyanoaurate(I)-Based Manganese(II) Complexes with Auxiliary Bis-Pyridine Ligands. Chempluschem. 88: e202300052. PMID 37139899 DOI: 10.1002/cplu.202300052 |
0.508 |
|
| 2023 |
Pramanik S, Jana S, Das K, Pathak S, Ortega-Castro J, Frontera A, Mukhopadhyay S. Crystallographic Aspects, Photophysical Properties, and Theoretical Survey of Tetrachlorometallates of Group 12 Metals [Zn(II), Cd(II), and Hg(II)] with a Triply Protonated 2,4,6-Tris(2-pyridyl)-1,3,5-triazine Ligand. Inorganic Chemistry. PMID 37130352 DOI: 10.1021/acs.inorgchem.2c04521 |
0.361 |
|
| 2023 |
Gutiérrez López MÁ, Tan ML, Frontera A, Matile S. The Origin of Anion-π Autocatalysis. Jacs Au. 3: 1039-1051. PMID 37124310 DOI: 10.1021/jacsau.2c00656 |
0.328 |
|
| 2023 |
Piña MLN, Sahu AK, Frontera A, Biswal HS, Bauzá A. Tetrel bonds involving a CF group participate in protein-drug recognition: a combined crystallographic and computational study. Physical Chemistry Chemical Physics : Pccp. 25: 12409-12419. PMID 37093130 DOI: 10.1039/d3cp00839h |
0.384 |
|
| 2023 |
Aliyeva VA, Gurbanov AV, Mahmoud AG, Gomila RM, Frontera A, Mahmudov KT, Pombeiro AJL. Chalcogen bonding in copper(II)-mediated synthesis. Faraday Discussions. PMID 37089087 DOI: 10.1039/d2fd00160h |
0.428 |
|
| 2023 |
Burguera S, Frontera A, Bauza A. Regium-π Bonds Involving Nucleobases: Theoretical Study and Biological Implications. Inorganic Chemistry. 62: 6740-6750. PMID 37083254 DOI: 10.1021/acs.inorgchem.3c00369 |
0.441 |
|
| 2023 |
Benito M, Frontera A, Molins E. Cocrystallization of Antifungal Compounds Mediated by Halogen Bonding. Crystal Growth & Design. 23: 2932-2940. PMID 37038404 DOI: 10.1021/acs.cgd.3c00067 |
0.411 |
|
| 2023 |
Lang L, Frontera A, Perez A, Bauzá A. Computational Study of Driving Forces in ATSP, PDIQ, and P53 Peptide Binding: C═O···C═O Tetrel Bonding Interactions at Work. Journal of Chemical Information and Modeling. PMID 37014944 DOI: 10.1021/acs.jcim.3c00024 |
0.324 |
|
| 2023 |
Semenov AV, Baykov SV, Soldatova NS, Geyl KK, Ivanov DM, Frontera A, Boyarskiy VP, Postnikov PS, Kukushkin VY. Noncovalent Chelation by Halogen Bonding in the Design of Metal-Containing Arrays: Assembly of Double σ-Hole Donating Halolium with Cu-Containing O,O-Donors. Inorganic Chemistry. 62: 6128-6137. PMID 37000904 DOI: 10.1021/acs.inorgchem.3c00229 |
0.316 |
|
| 2023 |
Calabrese M, Burguera S, Resnati G, Frontera A. Group-10 π-hole⋯d[M] interactions: a theoretical study of model systems inspired by CSD structures. Dalton Transactions (Cambridge, England : 2003). 52: 5056-5064. PMID 37000516 DOI: 10.1039/d3dt00698k |
0.401 |
|
| 2023 |
Gomila RM, Frontera A, Bauzá A. A Comprehensive Ab Initio Study of Halogenated A···U and G···C Base Pair Geometries and Energies. International Journal of Molecular Sciences. 24. PMID 36982603 DOI: 10.3390/ijms24065530 |
0.429 |
|
| 2023 |
Burguera S, Frontera A, Bauzá A. Substituent Effects in Tetrel Bonds Involving Aromatic Silane Derivatives: An ab initio Study. Molecules (Basel, Switzerland). 28. PMID 36903636 DOI: 10.3390/molecules28052385 |
0.46 |
|
| 2023 |
Smirnov AS, Mikherdov AS, Rozhkov AV, Gomila RM, Frontera A, Kukushkin VY, Bokach NA. Halogen Bond-Involving Supramolecular Assembly Utilizing Carbon as a Nucleophilic Partner of I⋅⋅⋅C Non-covalent Interaction. Chemistry, An Asian Journal. e202300037. PMID 36807544 DOI: 10.1002/asia.202300037 |
0.454 |
|
| 2023 |
Tabernero V, Teresa Muñoz M, Palenzuela M, Gomila RM, Frontera A, Mosquera MEG. σ-Hole triel bonds in aluminium derivatives. Dalton Transactions (Cambridge, England : 2003). 52: 551-555. PMID 36594397 DOI: 10.1039/d2dt03581b |
0.437 |
|
| 2022 |
Burguera S, Gomila RM, Bauzá A, Frontera A. Selenoxides as Excellent Chalcogen Bond Donors: Effect of Metal Coordination. Molecules (Basel, Switzerland). 27. PMID 36557974 DOI: 10.3390/molecules27248837 |
0.474 |
|
| 2022 |
Majumdar D, Roy S, Frontera A. The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)-Salen coordination complexes: a comprehensive DFT overview in crystal engineering. Rsc Advances. 12: 35860-35872. PMID 36545098 DOI: 10.1039/d2ra07080d |
0.35 |
|
| 2022 |
Sapronov AA, Artemjev AA, Burkin GM, Khrustalev VN, Kubasov AS, Nenajdenko VG, Gomila RM, Frontera A, Kritchenkov AS, Tskhovrebov AG. Robust Supramolecular Dimers Derived from Benzylic-Substituted 1,2,4-Selenodiazolium Salts Featuring Selenium⋯π Chalcogen Bonding. International Journal of Molecular Sciences. 23. PMID 36499302 DOI: 10.3390/ijms232314973 |
0.462 |
|
| 2022 |
Rivoli A, Gomila RM, Frontera A, Ballester P. Interchangeability and Disorder in the Solid-State Structures of "Two Wall" Calix[4]pyrroles Equipped with Iodine and Ethynyl para-Substituents. Chemistry, An Asian Journal. e202201192. PMID 36485017 DOI: 10.1002/asia.202201192 |
0.302 |
|
| 2022 |
Andreo L, Gomila RM, Priola E, Giordana A, Pantaleone S, Diana E, Mahmoudi G, Frontera A. Anion···Anion [AuI]···[AuI] Complex Trapped in the Solid State by Tetramethylammonium Cations. Crystal Growth & Design. 22: 6539-6544. PMID 36345385 DOI: 10.1021/acs.cgd.2c00749 |
0.437 |
|
| 2022 |
Gomila RM, Frontera A. Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies. Molecules (Basel, Switzerland). 27. PMID 36235133 DOI: 10.3390/molecules27196597 |
0.509 |
|
| 2022 |
de Las Nieves Piña M, Mooibroek TJ, Frontera A, Bauzá A. Importance of Cu and Ag regium-π bonds in supramolecular chemistry and biology: a combined crystallographic and study. Physical Chemistry Chemical Physics : Pccp. 24: 24983-24991. PMID 36214369 DOI: 10.1039/d2cp03874a |
0.726 |
|
| 2022 |
Baykov SV, Ivanov DM, Kasatkina SO, Galmés B, Frontera A, Resnati G, Kukushkin VY. Stacking Interactions: a Supramolecular Approach to Upgrade Weak Halogen Bond Donors. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 36178324 DOI: 10.1002/chem.202201869 |
0.372 |
|
| 2022 |
Mahmoudi G, García-Santos I, Pittelkow M, Kamounah FS, Zangrando E, Babashkina MG, Frontera A, Safin DA. The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 78: 685-694. PMID 35975834 DOI: 10.1107/S2052520622005789 |
0.355 |
|
| 2022 |
Blasi D, Nicolai V, Gomila RM, Mercandelli P, Frontera A, Carlucci L. Unprecedented {d-CuO}⋯π-hole interactions: the case of a cocrystal of a Cu(II) bis-β-diketonate complex with 1,4-diiodotetrafluoro-benzene. Chemical Communications (Cambridge, England). PMID 35924617 DOI: 10.1039/d2cc03457c |
0.331 |
|
| 2022 |
Calabrese M, Pizzi A, Daolio A, Frontera A, Resnati G. Periodate anions as a halogen bond donor: formation of anion⋯anion dimers and other adducts. Chemical Communications (Cambridge, England). PMID 35904031 DOI: 10.1039/d2cc03191d |
0.355 |
|
| 2022 |
Artemjev AA, Novikov AP, Burkin GM, Sapronov AA, Kubasov AS, Nenajdenko VG, Khrustalev VN, Borisov AV, Kirichuk AA, Kritchenkov AS, Gomila RM, Frontera A, Tskhovrebov AG. Towards Anion Recognition and Precipitation with Water-Soluble 1,2,4-Selenodiazolium Salts: Combined Structural and Theoretical Study. International Journal of Molecular Sciences. 23. PMID 35742815 DOI: 10.3390/ijms23126372 |
0.356 |
|
| 2022 |
Bauzá A, Frontera A. Noncovalent interactions involving group 6 in biological systems: The case of Molybdopterin and Tungstopterin cofactors. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35670547 DOI: 10.1002/chem.202201660 |
0.507 |
|
| 2022 |
Mahmoudi G, Masoudiasl A, Babashkina MG, Frontera A, Doert T, White JM, Zangrando E, Zubkov FI, Safin DA. Correction: On the importance of π-hole spodium bonding in tricoordinated Hg complexes. Dalton Transactions (Cambridge, England : 2003). PMID 35544995 DOI: 10.1039/d2dt90077g |
0.4 |
|
| 2022 |
Frontera A, Bauza A. Metal Coordination Enhances Chalcogen Bonds: CSD Survey and Theoretical Calculations. International Journal of Molecular Sciences. 23. PMID 35457005 DOI: 10.3390/ijms23084188 |
0.315 |
|
| 2022 |
Wilcox S, Sethio D, Ward JS, Frontera A, Lindh R, Rissanen K, Erdélyi M. Do 2-coordinate iodine(I) and silver(I) complexes form nucleophilic iodonium interactions (NIIs) in solution? Chemical Communications (Cambridge, England). 58: 4977-4980. PMID 35403648 DOI: 10.1039/d2cc00994c |
0.354 |
|
| 2022 |
Ward JS, Frontera A, Rissanen K. Retraction: Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes. Chemical Communications (Cambridge, England). 58: 5041. PMID 35373228 DOI: 10.1039/d2cc90120j |
0.318 |
|
| 2022 |
Gomila RM, Bauzá A, Frontera A. Enhancing chalcogen bonding by metal coordination. Dalton Transactions (Cambridge, England : 2003). 51: 5977-5982. PMID 35348153 DOI: 10.1039/d2dt00796g |
0.415 |
|
| 2022 |
Priola E, Giordana A, Gomila RM, Zangrando E, Andreo L, Rabezzana R, Operti L, Diana E, Mahmoudi G, Frontera A. Metallophilic interactions in silver(I) dicyanoaurate complexes. Dalton Transactions (Cambridge, England : 2003). PMID 35343559 DOI: 10.1039/d2dt00615d |
0.404 |
|
| 2022 |
De Las Nieves Piña M, Burguera S, Buils J, Àngel Crespí M, Ernesto Morales J, Pons J, Bauzá A, Frontera A. Substituent Effects in π-Hole Regium Bonding Interactions Between Au(p-X-Py) Complexes and Lewis Bases: An ab initio Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 23: e202200010. PMID 35191571 DOI: 10.1002/cphc.202200010 |
0.512 |
|
| 2022 |
Maynard JRJ, Galmés B, Stergiou A, Symes M, Frontera A, Goldup SM. Anion-π Catalysis Enabled by the Mechanical Bond. Angewandte Chemie (International Ed. in English). PMID 35040543 DOI: 10.1002/anie.202115961 |
0.326 |
|
| 2022 |
Navarro-García E, Galmés B, Esquivel JL, Velasco MD, Bastida A, Zapata F, Caballero A, Frontera A. Host-guest complexes supramolecular polymers in chalcogen bonding receptors: an experimental and theoretical study. Dalton Transactions (Cambridge, England : 2003). 51: 1325-1332. PMID 35018911 DOI: 10.1039/d1dt03925c |
0.345 |
|
| 2021 |
Alizadeh H, Mirzaei M, Saljooghi AS, Jodaian V, Bazargan M, Mague JT, Gomila RM, Frontera A. Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid -oxide: DFT studies and antiproliferative activities consideration. Rsc Advances. 11: 37403-37412. PMID 35496427 DOI: 10.1039/d1ra08258b |
0.415 |
|
| 2021 |
Basak T, Frontera A, Chattopadhyay S. Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C-H⋯π interactions. Rsc Advances. 11: 30148-30155. PMID 35480293 DOI: 10.1039/d1ra03943a |
0.421 |
|
| 2021 |
Basak T, Gómez-García CJ, Gomila RM, Frontera A, Chattopadhyay S. Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight. Rsc Advances. 11: 3315-3323. PMID 35424292 DOI: 10.1039/d0ra09425k |
0.326 |
|
| 2021 |
Frontera A, Bauza A. On the Importance of Pnictogen and Chalcogen Bonding Interactions in Supramolecular Catalysis. International Journal of Molecular Sciences. 22. PMID 34830432 DOI: 10.3390/ijms222212550 |
0.396 |
|
| 2021 |
Pérez H, Di Santo A, Piro OE, Echeverría GA, González M, Ben Altabef A, Gomila RM, Frontera A, Gil DM. Novel 'main-part' isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties. Dalton Transactions (Cambridge, England : 2003). PMID 34761774 DOI: 10.1039/d1dt03159g |
0.434 |
|
| 2021 |
Biswal HS, Sahu AK, Galmés B, Frontera A, Chopra D. Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study. Chembiochem : a European Journal of Chemical Biology. PMID 34693623 DOI: 10.1002/cbic.202100498 |
0.411 |
|
| 2021 |
Benito M, Roselló Y, Barceló-Oliver M, Frontera A, Molins E. Uracil Derivatives for Halogen-Bonded Cocrystals. International Journal of Molecular Sciences. 22. PMID 34639004 DOI: 10.3390/ijms221910663 |
0.371 |
|
| 2021 |
Ivanov DM, Bokach NA, Kukushkin VY, Frontera A. Metal Centers as Nucleophiles: Oxymoron of Halogen Bond-Involving Crystal Engineering. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34623005 DOI: 10.1002/chem.202103173 |
0.326 |
|
| 2021 |
Priola E, Giordana A, Mazzeo PP, Mahmoudi G, Gomila RM, Zubkov FI, Pokazeev KM, Valchuk KS, Bacchi A, Zangrando E, Frontera A. On the nature of recurrent Au⋯π motifs in tris(2,2'-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization. Dalton Transactions (Cambridge, England : 2003). 50: 16954-16960. PMID 34617941 DOI: 10.1039/d1dt02632a |
0.309 |
|
| 2021 |
de Las Nieves-Piña M, Frontera A, Mooibroek TJ, Bauzá A. Frustrated Lewis Pairs Based on Carbon⋅⋅⋅Carbon Tetrel Bonds: A DFT Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 22: 2478-2483. PMID 34596315 DOI: 10.1002/cphc.202100613 |
0.691 |
|
| 2021 |
Esmaeeli R, Piña MLN, Frontera A, Pérez A, Bauzá A. Importance of Anion-π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study. Journal of Chemical Theory and Computation. PMID 34586810 DOI: 10.1021/acs.jctc.1c00756 |
0.32 |
|
| 2021 |
Daolio A, Pizzi A, Terraneo G, Frontera A, Resnati G. Anion⋅⋅⋅Anion Interactions Involving σ-Holes of Perrhenate, Pertechnetate and Permanganate Anions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 22: 2281-2285. PMID 34541753 DOI: 10.1002/cphc.202100681 |
0.463 |
|
| 2021 |
Eliseeva AA, Ivanov DM, Rozhkov AV, Ananyev IV, Frontera A, Kukushkin VY. Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor. Jacs Au. 1: 354-361. PMID 34467299 DOI: 10.1021/jacsau.1c00012 |
0.33 |
|
| 2021 |
Piña MLN, Frontera A, Bauza A. Charge Assisted S/Se Chalcogen Bonds in SAM Riboswitches: A Combined PDB and Study. Acs Chemical Biology. PMID 34427431 DOI: 10.1021/acschembio.1c00417 |
0.353 |
|
| 2021 |
Fernández Riveras JA, Frontera A, Bauzá A. Selenium chalcogen bonds are involved in protein-carbohydrate recognition: a combined PDB and theoretical study. Physical Chemistry Chemical Physics : Pccp. 23: 17656-17662. PMID 34373871 DOI: 10.1039/d1cp01929e |
0.456 |
|
| 2021 |
Llull R, Montalbán G, Vidal I, Gomila RM, Bauzá A, Frontera A. Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems. Physical Chemistry Chemical Physics : Pccp. 23: 16888-16896. PMID 34328165 DOI: 10.1039/d1cp02150h |
0.483 |
|
| 2021 |
Frontera A, Bauzá A. Biological halogen bonds in protein-ligand complexes: a combined QTAIM and NCIPlot study in four representative cases. Organic & Biomolecular Chemistry. 19: 6858-6864. PMID 34319314 DOI: 10.1039/d1ob01212f |
0.432 |
|
| 2021 |
Resnati G, Daolio A, Pizzi A, Calabrese M, Terraneo G, Bordignon S, Frontera A. Molecular electrostatic potential and noncovalent interactions in derivatives of group 8 elements. Angewandte Chemie (International Ed. in English). PMID 34260810 DOI: 10.1002/anie.202107978 |
0.314 |
|
| 2021 |
García-Márquez A, Frontera A, Roisnel T, Gramage-Doria R. Ultrashort HH intermolecular distance in a supramolecular system in the solid state. Chemical Communications (Cambridge, England). 57: 7112-7115. PMID 34179902 DOI: 10.1039/d1cc02143e |
0.343 |
|
| 2021 |
Biswas N, Saha S, Zangrando E, Frontera A, Choudhury CR. Catecholase-Like Activity and Theoretical Study in Solid State of a New Ru(III)-Schiff Base Complex. Acta Chimica Slovenica. 68: 212-221. PMID 34057510 |
0.344 |
|
| 2021 |
Gomila RM, Bauza A, Mooibroek TJ, Frontera A. π-Hole spodium bonding in tri-coordinated Hg(II) complexes. Dalton Transactions (Cambridge, England : 2003). 50: 7545-7553. PMID 34037019 DOI: 10.1039/d1dt01235e |
0.719 |
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| 2021 |
Anyfanti G, Bauzá A, Gentiluomo L, Rodrigues J, Portalone G, Frontera A, Rissanen K, Puttreddy R. Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor. Frontiers in Chemistry. 9: 623595. PMID 33996740 DOI: 10.3389/fchem.2021.623595 |
0.443 |
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| 2021 |
Adhikari S, Bhattacharjee T, Bhattacharjee S, Daniliuc CG, Frontera A, Lopato EM, Bernhard S. Nickel(II) complexes based on dithiolate-polyamine binary ligand systems: crystal structures, hirshfeld surface analysis, theoretical study, and catalytic activity study on photocatalytic hydrogen generation. Dalton Transactions (Cambridge, England : 2003). 50: 5632-5643. PMID 33908954 DOI: 10.1039/d1dt00352f |
0.332 |
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| 2021 |
Ward JS, Frontera A, Rissanen K. Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes. Chemical Communications (Cambridge, England). 57: 5094-5097. PMID 33899860 DOI: 10.1039/d1cc01505b |
0.3 |
|
| 2021 |
Resnati G, Daolio A, Pizzi A, Terraneo G, Ursini M, Frontera A. Anion···Anion Coinage Bond: the Case of Tetrachloridoaurate. Angewandte Chemie (International Ed. in English). PMID 33872450 DOI: 10.1002/anie.202104592 |
0.436 |
|
| 2021 |
Baykov SV, Geyl KK, Ivanov DM, Gomila RM, Frontera A, Kukushkin VY. Azine Steric Hindrances Switch Halogen Bonding to N-Arylation upon Interplay with σ-Hole Donating Haloarenenitriles. Chemistry, An Asian Journal. PMID 33844884 DOI: 10.1002/asia.202100282 |
0.447 |
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| 2021 |
Samaniyan M, Mirzaei M, Gomila RM, Eshtiagh-Hosseini H, Lotfian N, Mague JT, Pour AN, Frontera A. Supramolecular network of a framework material supported by the anion-π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights. Dalton Transactions (Cambridge, England : 2003). PMID 33475649 DOI: 10.1039/d0dt03891a |
0.409 |
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| 2021 |
Álvarez-Vidaurre R, Castiñeiras A, Frontera A, García-Santos I, Gil DM, González-Pérez JM, Niclós-Gutiérrez J, Torres-Iglesias R. Weak Interactions in Cocrystals of Isoniazid with Glycolic and Mandelic Acids Crystals. 11: 328. DOI: 10.3390/CRYST11040328 |
0.387 |
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| 2021 |
Pal P, Das K, Hossain A, Gomila RM, Frontera A, Mukhopadhyay S. Synthesis and crystal structure of the simultaneous binding of Ni(ii) cation and chloride by the protonated 2,4,6 tris-(2-pyridyl)-1,3,5 triazine ligand: theoretical investigations of anion⋯π, π⋯π and hydrogen bonding interactions New Journal of Chemistry. 45: 11689-11696. DOI: 10.1039/D1NJ01880A |
0.426 |
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| 2021 |
Pramanik S, Pathak S, Jana S, Mondal M, Frontera A, Mukhopadhyay S. An experimental and theoretical exploration of supramolecular interactions and photoresponse properties of two Ni(ii) complexes New Journal of Chemistry. 45: 12108-12119. DOI: 10.1039/D1NJ01363G |
0.318 |
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| 2021 |
Thakur S, Gomila RM, Frontera A, Chattopadhyay S. A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex Crystengcomm. 23: 5087-5096. DOI: 10.1039/D1CE00624J |
0.434 |
|
| 2021 |
Ahmed MN, Madni M, Anjum S, Andleeb S, Hameed S, Khan AM, Ashfaq M, Tahir MN, Gil DM, Frontera A. Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions Crystengcomm. 23: 3276-3287. DOI: 10.1039/D1CE00256B |
0.34 |
|
| 2021 |
Gomila RM, Bauzá A, Mooibroek TJ, Frontera A. Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering? Crystengcomm. 23: 3084-3093. DOI: 10.1039/D1CE00221J |
0.665 |
|
| 2021 |
Basak T, Gomila RM, Frontera A, Chattopadhyay S. Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes Crystengcomm. 23: 2703-2710. DOI: 10.1039/D1CE00214G |
0.375 |
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| 2021 |
Mondal I, Frontera A, Chattopadhyay S. On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand Crystengcomm. 23: 3391-3397. DOI: 10.1039/D0CE01864C |
0.461 |
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| 2021 |
Khan S, Dutta T, Cortijo M, González-Prieto R, Drew MGB, Gomila RM, Frontera A, Chattopadhyay S. Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction Crystengcomm. 23: 1942-1952. DOI: 10.1039/D0CE01861A |
0.361 |
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| 2021 |
Karmakar M, Frontera A, Chattopadhyay S. Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain Crystengcomm. 23: 1918-1928. DOI: 10.1039/D0CE01840F |
0.375 |
|
| 2021 |
Basak T, Frontera A, Chattopadhyay S. Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding Crystengcomm. 23: 1578-1587. DOI: 10.1039/d0ce01534b |
0.328 |
|
| 2021 |
Ghosh K, Frontera A, Chattopadhyay S. A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex Crystengcomm. 23: 1429-1438. DOI: 10.1039/d0ce01513j |
0.3 |
|
| 2021 |
Eliseeva AA, Ivanov DM, Rozhkov AV, Ananyev IV, Frontera A, Kukushkin VY. Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor Jacs Au. 1: 354-361. DOI: 10.1021/JACSAU.1C00012 |
0.348 |
|
| 2021 |
Bibi A, Khan I, Andleeb H, Simpson J, Tahir MN, Hameed S, Frontera A. Synthesis, X-ray characterization, Hirshfeld surface analysis and DFT calculations on tetrazolyl-phenol derivatives: H-bonds vs C–H…π/π…π interactions Journal of Molecular Structure. 1227: 129425. DOI: 10.1016/j.molstruc.2020.129425 |
0.333 |
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| 2021 |
Maiti M, Thakurta S, Pilet G, Bauzá A, Frontera A. Two new hydrogen-bonded supramolecular dioxo-molybdenum(VI) complexes based on acetyl-hydrazone ligands: Synthesis, crystal structure and DFT studies Journal of Molecular Structure. 1226: 129346. DOI: 10.1016/J.MOLSTRUC.2020.129346 |
0.371 |
|
| 2021 |
Sarma P, Sharma P, Frontera A, Barcelo-Oliver M, Verma AK, Barthakur T, Bhattacharyya MK. Unconventional π-hole and Semi-coordination regium bonding interactions directed supramolecular assemblies in pyridinedicarboxylato bridged polymeric Cu(II) Compounds: Antiproliferative evaluation and theoretical studies Inorganica Chimica Acta. 525: 120461. DOI: 10.1016/J.ICA.2021.120461 |
0.368 |
|
| 2021 |
Mahmoudi G, Zangrando E, Miroslaw B, Gurbanov AV, Babashkina MG, Frontera A, Safin DA. Spodium bonding and other non-covalent interactions assisted supramolecular aggregation in a new mercury(II) complex of a nicotinohydrazide derivative Inorganica Chimica Acta. 519: 120279. DOI: 10.1016/J.ICA.2021.120279 |
0.396 |
|
| 2021 |
Yu S, Kumar P, Ward JS, Frontera A, Rissanen K. A “nucleophilic” iodine in a halogen-bonded iodonium complex manifests an unprecedented I+···Ag+ interaction Chem. 7: 948-958. DOI: 10.1016/J.CHEMPR.2021.01.003 |
0.47 |
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| 2020 |
Mahmoudi G, Masoudiasl A, Babashkina MG, Frontera A, Doert T, White JM, Zangrando E, Zubkov FI, Safin DA. On the importance of π-hole spodium bonding in tricoordinated Hg complexes. Dalton Transactions (Cambridge, England : 2003). PMID 33320138 DOI: 10.1039/d0dt03938a |
0.47 |
|
| 2020 |
Gini A, Paraja M, Galmés B, Besnard C, Poblador-Bahamonde AI, Sakai N, Frontera A, Matile S. Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations. Chemical Science. 11: 7086-7091. PMID 33250977 DOI: 10.1039/D0Sc02551H |
0.375 |
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| 2020 |
Rana A, Galmés B, Frontera A, Biswal HS, Chopra D. Unravelling the electronic nature of C-FO-C non-covalent interaction in proteins and small molecules in the solid state. Physical Chemistry Chemical Physics : Pccp. PMID 33146185 DOI: 10.1039/d0cp05280a |
0.452 |
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| 2020 |
Bhunia P, Ghosh S, Gomila RM, Frontera A, Ghosh A. Reaction of Cu(II) Chelates with Uranyl Nitrate to Form a Coordination Complex or H-Bonded Adduct: Experimental Observations and Rationalization by Theoretical Calculations. Inorganic Chemistry. PMID 33078932 DOI: 10.1021/acs.inorgchem.0c02338 |
0.376 |
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| 2020 |
Jana NC, Brandão P, Frontera A, Panja A. A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes. Dalton Transactions (Cambridge, England : 2003). PMID 33025999 DOI: 10.1039/d0dt02431g |
0.398 |
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| 2020 |
Karmakar M, Frontera A, Chattopadhyay S, Mooibroek TJ, Bauzá A. Intramolecular Spodium Bonds in Zn(II) Complexes: Insights from Theory and Experiment. International Journal of Molecular Sciences. 21. PMID 32993027 DOI: 10.3390/ijms21197091 |
0.705 |
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| 2020 |
Mahmoudi G, Abedi M, Lawrence SE, Zangrando E, Babashkina MG, Klein A, Frontera A, Safin DA. Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide. Molecules (Basel, Switzerland). 25. PMID 32899863 DOI: 10.3390/molecules25184056 |
0.448 |
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| 2020 |
Piña MLN, Frontera A, Bauza A. Regium- Bonds Are Involved in Protein-Gold Binding. The Journal of Physical Chemistry Letters. PMID 32856919 DOI: 10.1021/acs.jpclett.0c02295 |
0.322 |
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| 2020 |
Frontera A. Noble Gas Bonding Interactions Involving Xenon Oxides and Fluorides. Molecules (Basel, Switzerland). 25. PMID 32731517 DOI: 10.3390/molecules25153419 |
0.482 |
|
| 2020 |
Goswami S, Singha S, Saha I, Chatterjee A, Dey SK, Gómez-García CJ, Frontera A, Kumar S, Saha R. Correction to "Selective Metal-Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic MnFe Trimer". Inorganic Chemistry. PMID 32662644 DOI: 10.1021/acs.inorgchem.0c01893 |
0.352 |
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| 2020 |
Frontera A, Bauzá A. Halogen Bonds in Protein Nucleic Acid Recognition. Journal of Chemical Theory and Computation. 16: 4744-4752. PMID 32579358 DOI: 10.1021/acs.jctc.0c00431 |
0.385 |
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| 2020 |
Mooibroek TJ, Roeleveld JJ, Lekanne Deprez SJ, Verhoofstad A, Frontera A, van der Vlugt JI. Engineering crystals using sp3-C centred tetrel bonding interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32557861 DOI: 10.1002/chem.202002613 |
0.703 |
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| 2020 |
Bauzá A, Alkorta I, Elguero J, Mooibroek TJ, Frontera A. Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements. Angewandte Chemie (International Ed. in English). 59: 17482-17487. PMID 32542948 DOI: 10.1002/anie.202007814 |
0.74 |
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| 2020 |
Rozhkov AV, Ananyev IV, Gomila RM, Frontera A, Kukushkin VY. π-Hole···[Pt] Interactions with Electron-Deficient Arenes Enhance the Phosphorescence of Pt-Based Luminophores. Inorganic Chemistry. PMID 32516531 DOI: 10.1021/acs.inorgchem.0c01170 |
0.345 |
|
| 2020 |
Piña MLN, Frontera A, Bauza A. Quantifying intramolecular Halogen Bonds in Nucleic Acids: A combined PDB and theoretical study. Acs Chemical Biology. PMID 32469201 DOI: 10.1021/acschembio.0c00292 |
0.391 |
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| 2020 |
Galmés B, Adrover J, Terraneo G, Frontera A, Resnati G. Radicalradical chalcogen bonds: CSD analysis and DFT calculations. Physical Chemistry Chemical Physics : Pccp. PMID 32463046 DOI: 10.1039/D0Cp01643H |
0.372 |
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| 2020 |
Goswami S, Singha S, Saha I, Chatterjee A, Dey SK, Gómez García CJ, Frontera A, Kumar S, Saha R. Selective Metal-Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic MnFe Trimer. Inorganic Chemistry. PMID 32462868 DOI: 10.1021/Acs.Inorgchem.0C00909 |
0.385 |
|
| 2020 |
Gomila RM, Frontera A. Covalent and Non-covalent Noble Gas Bonding Interactions in XeF Derivatives ( = 2-6): A Combined Theoretical and ICSD Analysis. Frontiers in Chemistry. 8: 395. PMID 32435634 DOI: 10.3389/fchem.2020.00395 |
0.473 |
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| 2020 |
Piña MLN, Bauzá A, Frontera A. Halogenhalogen interactions in decahalo-closo-carboranes: CSD analysis and theoretical study. Physical Chemistry Chemical Physics : Pccp. 22: 6122-6130. PMID 32124890 DOI: 10.1039/d0cp00114g |
0.386 |
|
| 2020 |
Terrón A, Buils J, Mooibroek TJ, Barceló-Oliver M, García-Raso A, Fiol JJ, Frontera A. Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex. Chemical Communications (Cambridge, England). 56: 3524-3527. PMID 32101222 DOI: 10.1039/d0cc00505c |
0.676 |
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| 2020 |
Navarro-García E, Galmés B, Velasco MD, Frontera A, Caballero A. Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigations. Chemistry (Weinheim An Der Bergstrasse, Germany). 26: 4706-4713. PMID 31957917 DOI: 10.1002/chem.201905786 |
0.416 |
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| 2020 |
Galmés B, Juan-Bals A, Frontera A, Resnati G. Charge assisted chalcogen bonds: CSD and DFT analyses and biological implication in glucosidase inhibitors. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31943433 DOI: 10.1002/Chem.201905498 |
0.432 |
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| 2020 |
Bujosa S, Castellanos E, Frontera A, Rotger C, Costa A, Soberats B. Self-assembly of amphiphilic aryl-squaramides in water driven by dipolar π-π interactions. Organic & Biomolecular Chemistry. PMID 31913400 DOI: 10.1039/c9ob02085c |
0.403 |
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| 2020 |
Bauzá A, Frontera A. Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 21: 26-31. PMID 31823488 DOI: 10.1002/cphc.201901001 |
0.392 |
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| 2020 |
Barbas R, Kumar V, Vallcorba O, Prohens R, Frontera A. Sildenafil–Resorcinol Cocrystal: XRPD Structure and DFT Calculations Crystals. 10: 1126. DOI: 10.3390/cryst10121126 |
0.432 |
|
| 2020 |
Mahmoudi G, Kumar Seth S, Bauza Riera A, Ivanovich Zubkov F, Frontera A. Novel Pb(II) Complexes: X-Ray Structures, Hirshfeld Surface Analysis and DFT Calculations Crystals. 10: 568. DOI: 10.3390/cryst10070568 |
0.358 |
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| 2020 |
Kletskov AV, Gil DM, Frontera A, Zaytsev VP, Merkulova NL, Beltsova KR, Sinelshchikova AA, Grigoriev MS, Grudova MV, Zubkov FI. Intramolecular sp2-sp3 Disequalization of Chemically Identical Sulfonamide Nitrogen Atoms: Single Crystal X-Ray Diffraction Characterization, Hirshfeld Surface Analysis and DFT Calculations of N-Substituted Hexahydro-1,3,5-Triazines Crystals. 10: 369. DOI: 10.3390/cryst10050369 |
0.356 |
|
| 2020 |
Belmont-Sánchez JC, Ruiz-González N, Frontera A, Matilla-Hernández A, Castiñeiras A, Niclós-Gutiérrez J. Anion–Cation Recognition Pattern, Thermal Stability and DFT-Calculations in the Crystal Structure of H2dap[Cd(HEDTA)(H2O)] Salt (H2dap = H2(N3,N7)-2,6-Diaminopurinium Cation) Crystals. 10: 304. DOI: 10.3390/cryst10040304 |
0.315 |
|
| 2020 |
Alkorta I, Elguero J, Frontera A. Not Only Hydrogen Bonds: Other Noncovalent Interactions Crystals. 10: 180. DOI: 10.3390/cryst10030180 |
0.469 |
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| 2020 |
Frontera A. Tetrel Bonding Interactions Involving Carbon at Work: Recent Advances in Crystal Engineering and Catalysis C—Journal of Carbon Research. 6: 60. DOI: 10.3390/C6040060 |
0.48 |
|
| 2020 |
Saeed A, Khurshid A, Flörke U, Echeverría GA, Piro OE, Gil DM, Rocha M, Frontera A, El-Seedi HR, Mumtaz A, Erben MF. Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations New Journal of Chemistry. 44: 19541-19554. DOI: 10.1039/d0nj03958f |
0.33 |
|
| 2020 |
Madni M, Ahmed MN, Hafeez M, Ashfaq M, Tahir MN, Gil DM, Galmes B, Hameed S, Frontera A. Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations New Journal of Chemistry. 44: 14592-14603. DOI: 10.1039/D0Nj02931A |
0.302 |
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| 2020 |
Afkhami FA, Mahmoudi G, Miroslaw B, Qu F, Gupta A, Frontera A, Zubkov FI, Zangrando E, Safin DA. Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure New Journal of Chemistry. 44: 9429-9437. DOI: 10.1039/D0Nj00930J |
0.431 |
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| 2020 |
Sharma P, Gogoi A, Verma AK, Frontera A, Bhattacharyya MK. Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies New Journal of Chemistry. 44: 5473-5488. DOI: 10.1039/d0nj00075b |
0.334 |
|
| 2020 |
Basak T, Frontera A, Chattopadhyay S. A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(iii) complexes Crystengcomm. 22: 5731-5742. DOI: 10.1039/d0ce00955e |
0.308 |
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| 2020 |
Ahmed MN, Yasin KA, Aziz S, Khan SU, Tahir MN, Gil DM, Frontera A. Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations Crystengcomm. 22: 3567-3578. DOI: 10.1039/D0Ce00335B |
0.416 |
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| 2020 |
Gomila RM, Frontera A. Charge assisted halogen and pnictogen bonds: insights from the Cambridge Structural Database and DFT calculations Crystengcomm. 22: 7162-7169. DOI: 10.1039/d0ce00220h |
0.346 |
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| 2020 |
Bhattacharyya MK, Saha U, Dutta D, Frontera A, Verma AK, Sharma P, Das A. Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion–π/π–π/π–anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies New Journal of Chemistry. 44: 4504-4518. DOI: 10.1039/c9nj05727g |
0.317 |
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| 2020 |
Mirzaei M, Sadeghi F, Molčanov K, Zarȩba JK, Gomila RM, Frontera A. Recurrent Supramolecular Motifs in a Series of Acid–Base Adducts Based on Pyridine-2,5-Dicarboxylic Acid N-Oxide and Organic Bases: Inter- and Intramolecular Hydrogen Bonding Crystal Growth & Design. 20: 1738-1751. DOI: 10.1021/ACS.CGD.9B01475 |
0.303 |
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| 2020 |
Zelenkov LE, Ivanov DM, Sadykov EK, Bokach NA, Galmés B, Frontera A, Kukushkin VY. Semicoordination Bond Breaking and Halogen Bond Making Change the Supramolecular Architecture of Metal-Containing Aggregates Crystal Growth & Design. 20: 6956-6965. DOI: 10.1021/acs.cgd.0c00999 |
0.301 |
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| 2020 |
Bofill L, Prohens R, Barbas R, Frontera A. DFT Analysis of Uncommon π···H-Bond Array Interaction in a New Pterostilbene/Theophylline Cocrystal Crystal Growth & Design. 20: 6691-6698. DOI: 10.1021/acs.cgd.0c00845 |
0.42 |
|
| 2020 |
Thakur S, Gil DM, Frontera A, Chattopadhyay S. Exploration of Br⋯O halogen bonding interactions in dinuclear vanadium(V) complexes with Schiff base ligands Polyhedron. 187: 114676. DOI: 10.1016/j.poly.2020.114676 |
0.395 |
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| 2020 |
Mirdya S, Drew MG, Chandra AK, Banerjee A, Frontera A, Chattopadhyay S. A series of hydrogen bond mediated dinuclear nickel(II) complexes with reduced Schiff base ligands: An insight into the nature of their short intermolecular hydrogen bonds Polyhedron. 179: 114374. DOI: 10.1016/j.poly.2020.114374 |
0.385 |
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| 2020 |
Biswas BK, Saha S, Biswas N, Chowdhury M, Frontera A, Rizzoli C, Roy Choudhury R, Roy Choudhury C. Two copper (II) complexes derived from anthranilic acid and 4-iodo-anthranilic acid Schiff bases: Structural elucidation, halogen bonding interactions and catalytic study using 3,5-DTBC Journal of Molecular Structure. 1217: 128398. DOI: 10.1016/j.molstruc.2020.128398 |
0.333 |
|
| 2020 |
Afkhami FA, Mahmoudi G, Qu F, Gupta A, Zangrando E, Frontera A, Safin DA. Supramolecular architecture constructed from the hemidirected lead(II) complex with N'-(4-hydroxybenzylidene)isonicotinohydrazide Inorganica Chimica Acta. 502: 119350. DOI: 10.1016/J.Ica.2019.119350 |
0.422 |
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| 2020 |
Bauzá A, Frontera A. σ/π-Hole noble gas bonding interactions: Insights from theory and experiment Coordination Chemistry Reviews. 404: 213112. DOI: 10.1016/j.ccr.2019.213112 |
0.36 |
|
| 2019 |
Thakur S, Drew MGB, Franconetti A, Frontera A, Chattopadhyay S. Stabilization of two conformers intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight. Rsc Advances. 9: 35165-35175. PMID 35530693 DOI: 10.1039/c9ra07006k |
0.463 |
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| 2019 |
Hosseini-Hashemi Z, Mirzaei M, Jafari A, Hosseinpour P, Yousefi M, Frontera A, Lari Dashtbayaz M, Shamsipur M, Ardalani M. Effects of -oxidation on the molecular and crystal structures and properties of isocinchomeronic acid, its metal complexes and their supramolecular architectures: experimental, CSD survey, solution and theoretical approaches. Rsc Advances. 9: 25382-25404. PMID 35530069 DOI: 10.1039/c9ra05143k |
0.346 |
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| 2019 |
Thakur S, Drew MGB, Franconetti A, Frontera A, Chattopadhyay S. Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes. Rsc Advances. 9: 4789-4796. PMID 35514651 DOI: 10.1039/c8ra09947b |
0.366 |
|
| 2019 |
Ruiz-González N, García-Rubiño ME, Domínguez-Martín A, Choquesillo-Lazarte D, Franconetti A, Frontera A, Castiñeiras A, González-Pérez JM, Niclós-Gutiérrez J. Molecular and supramolecular recognition patterns in ternary copper(II) or zinc(II) complexes with selected rigid-planar chelators and a synthetic adenine-nucleoside. Journal of Inorganic Biochemistry. 203: 110920. PMID 31760232 DOI: 10.1016/j.jinorgbio.2019.110920 |
0.364 |
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| 2019 |
Frontera A, Bauzá A. closo-Carboranes as dual CHπ and BHπ donors: theoretical study and biological significance. Physical Chemistry Chemical Physics : Pccp. 21: 19944-19950. PMID 31475699 DOI: 10.1039/c9cp03858b |
0.363 |
|
| 2019 |
Bauzá A, Frontera A, Mooibroek TJ. π-Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures. Chemistry (Weinheim An Der Bergstrasse, Germany). 25: 13436-13443. PMID 31453653 DOI: 10.1002/chem.201903404 |
0.693 |
|
| 2019 |
Galmés B, Franconetti A, Frontera A. Nitropyridine-1-Oxides as Excellent π-Hole Donors: Interplay between σ-Hole (Halogen, Hydrogen, Triel, and Coordination Bonds) and π-Hole Interactions. International Journal of Molecular Sciences. 20. PMID 31336936 DOI: 10.3390/ijms20143440 |
0.488 |
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| 2019 |
Navarro-García E, Velasco MD, Zapata F, Bauzá A, Frontera A, Ramírez de Arellano C, Caballero A. Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions. Dalton Transactions (Cambridge, England : 2003). 48: 11813-11821. PMID 31304497 DOI: 10.1039/c9dt02012h |
0.325 |
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| 2019 |
Banerjee A, Frontera A, Chattopadhyay S. Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study. Dalton Transactions (Cambridge, England : 2003). PMID 31290506 DOI: 10.1039/c9dt01818b |
0.429 |
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| 2019 |
Pericàs MA, Buglioni L, Mastandrea MM, Frontera A. Anion-π interactions in light-induced reactions. Their role in the amidation of (hetero)aromatic systems with activated N-aryloxyamides. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31282595 DOI: 10.1002/Chem.201903055 |
0.31 |
|
| 2019 |
Franconetti A, Frontera A. "Like-like" tetrel bonding interactions between Sn centres: a combined ab initio and CSD study. Dalton Transactions (Cambridge, England : 2003). 48: 11208-11216. PMID 31241088 DOI: 10.1039/c9dt01953g |
0.466 |
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| 2019 |
Franconetti A, Quiñonero D, Frontera A, Resnati G. Unexpected chalcogen bonds in tetravalent sulfur compounds. Physical Chemistry Chemical Physics : Pccp. PMID 31107466 DOI: 10.1039/C9Cp01033E |
0.449 |
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| 2019 |
Tahmasebi M, Mirzaei M, Eshtiagh-Hosseini H, Mague JT, Bauzá A, Frontera A. An inorganic-organic hybrid supramolecular framework based on the γ-[MoO] cluster and cobalt complex of aspartic acid: X-ray structure and DFT study. Acta Crystallographica. Section C, Structural Chemistry. 75: 469-477. PMID 30957793 DOI: 10.1107/S2053229619004029 |
0.339 |
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| 2019 |
Galmes B, Martinez D, Infante-Carrió MF, Franconetti A, Frontera A. Theoretical Ab Initio Study on Cooperativity Effects between Nitro π-hole and Halogen Bonding Interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30884031 DOI: 10.1002/cphc.201900142 |
0.491 |
|
| 2019 |
Franconetti A, Frontera A. Theoretical and Crystallographic Study of Lead(IV) Tetrel Bonding Interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 25: 6007-6013. PMID 30835906 DOI: 10.1002/chem.201900447 |
0.472 |
|
| 2019 |
Carreras L, Benet-Buchholz J, Franconetti A, Frontera A, van Leeuwen PWNM, Vidal-Ferran A. Halogen bonding effects on the outcome of reactions at metal centres. Chemical Communications (Cambridge, England). PMID 30729960 DOI: 10.1039/c8cc08884e |
0.312 |
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| 2019 |
Hajiashrafi T, Zekriazadeh R, Flanagan KJ, Kia F, Bauzá A, Frontera A, Senge MO. The role of π-π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds. Acta Crystallographica. Section C, Structural Chemistry. 75: 178-188. PMID 30720456 DOI: 10.1107/S2053229618018314 |
0.366 |
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| 2019 |
Quiñonero D, Frontera A. Hydrogen Bond versus Halogen Bond in HXOn (X = F, Cl, Br, and I) Complexes with Lewis Bases Inorganics. 7: 9. DOI: 10.3390/INORGANICS7010009 |
0.421 |
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| 2019 |
Roselló Y, Benito M, Molins E, Barceló-Oliver M, Frontera A. Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study Crystals. 9: 224. DOI: 10.3390/CRYST9040224 |
0.432 |
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| 2019 |
Aakeroy CB, Bryce DL, Desiraju GR, Frontera A, Legon AC, Nicotra F, Rissanen K, Scheiner S, Terraneo G, Metrangolo P, Resnati G. Definition of the chalcogen bond (IUPAC Recommendations 2019) Pure and Applied Chemistry. 91: 1889-1892. DOI: 10.1515/Pac-2018-0713 |
0.316 |
|
| 2019 |
Thakur S, Drew MGB, Franconetti A, Frontera A, Chattopadhyay S. Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight Rsc Advances. 9: 35165-35175. DOI: 10.1039/c9ra07006k |
0.347 |
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| 2019 |
Kumar M, Qiu C, Zaręba JK, Frontera A, Jassal AK, Sahoo SC, Liu S, Sheikh HN. Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker New Journal of Chemistry. 43: 14546-14564. DOI: 10.1039/C9Nj03664D |
0.306 |
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| 2019 |
Ahmed MN, Arif M, Jabeen F, Khan HA, Yasin KA, Tahir MN, Franconetti A, Frontera A. On the importance of antiparallel π–π interactions in the solid state of isatin-based hydrazides New Journal of Chemistry. 43: 8122-8131. DOI: 10.1039/C9Nj00405J |
0.508 |
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| 2019 |
Mirdya S, Frontera A, Chattopadhyay S. Formation of a tetranuclear supramolecule via non-covalent Pb⋯Cl tetrel bonding interaction in a hemidirected lead(ii) complex with a nickel(ii) containing metaloligand Crystengcomm. 21: 6859-6868. DOI: 10.1039/c9ce01283d |
0.355 |
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| 2019 |
Franconetti A, Frontera A, Mooibroek TJ. Intramolecular π–hole interactions with nitro aromatics Crystengcomm. 21: 5410-5417. DOI: 10.1039/C9CE01015G |
0.719 |
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| 2019 |
Kar P, Franconetti A, Frontera A, Ghosh A. Chloranilate bridged dinuclear copper(II) complexes: syn–anti geometry tuned by the steric factor and supramolecular interactions Crystengcomm. 21: 6886-6893. DOI: 10.1039/C9Ce00705A |
0.302 |
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| 2019 |
Thakur S, Drew MGB, Franconetti A, Frontera A, Chattopadhyay S. Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes Rsc Advances. 9: 4789-4796. DOI: 10.1039/C8RA09947B |
0.398 |
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| 2019 |
Kumar M, Sheikh HN, Fraconetti A, Zaręba JK, Sahoo SC, Frontera A. 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding New Journal of Chemistry. 43: 2179-2195. DOI: 10.1039/C8Nj05701J |
0.373 |
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| 2019 |
Mirdya S, Roy S, Chatterjee S, Bauzá A, Frontera A, Chattopadhyay S. Importance of π-Interactions Involving Chelate Rings in Addition to the Tetrel Bonds in Crystal Engineering: A Combined Experimental and Theoretical Study on a Series of Hemi- and Holodirected Nickel(II)/Lead(II) Complexes Crystal Growth & Design. 19: 5869-5881. DOI: 10.1021/acs.cgd.9b00881 |
0.373 |
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| 2019 |
Radha A, Kumar S, Sharma D, Jassal AK, Zaręba JK, Franconetti A, Frontera A, Sood P, Pandey SK. Indirect influence of alkyl substituent on sigma-hole interactions: The case study of antimony(III) diphenyldithiophosphates with covalent Sb-S and non-covalent Sb⋯S pnictogen bonds Polyhedron. 173: 114126. DOI: 10.1016/j.poly.2019.114126 |
0.42 |
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| 2019 |
Gogoi A, Dutta D, Verma AK, Nath H, Frontera A, Guha AK, Bhattacharyya MK. Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: Anticancer evaluation and theoretical studies Polyhedron. 168: 113-126. DOI: 10.1016/J.POLY.2019.04.043 |
0.318 |
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| 2019 |
Kazmi M, Ibrar A, Ali HS, Ghufran M, Wadood A, Flörke U, Simpson J, Saeed A, Frontera A, Khan I. A combined experimental and theoretical analysis of the solid-state supramolecular self-assembly of N-(2,4-dichlorophenyl)-1-naphthamide: Synthesis, anticholinesterase potential and molecular docking analysis Journal of Molecular Structure. 1197: 458-470. DOI: 10.1016/J.Molstruc.2019.07.077 |
0.358 |
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| 2019 |
Dutta D, Nashre-ul-Islam SM, Saha U, Frontera A, Bhattacharyya MK. Cu(II) and Co(II) coordination solids involving unconventional parallel nitrile(π)‒nitrile(π) and energetically significant cooperative hydrogen bonding interactions: Experimental and theoretical studies Journal of Molecular Structure. 1195: 733-743. DOI: 10.1016/J.MOLSTRUC.2019.06.040 |
0.38 |
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| 2019 |
Ganguly S, Bauzá A, Frontera A, Ghosh A. Tri-nuclear copper-cadmium complexes of a N2O2-donor ligand with the variation of counter anions: Structural elucidation and theoretical study on inter-molecular interactions Inorganica Chimica Acta. 492: 142-149. DOI: 10.1016/J.Ica.2019.04.013 |
0.388 |
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| 2019 |
Bauzá A, Seth SK, Frontera A. Tetrel bonding interactions at work: Impact on tin and lead coordination compounds Coordination Chemistry Reviews. 384: 107-125. DOI: 10.1016/J.CCR.2019.01.003 |
0.397 |
|
| 2018 |
Naseer MM, Hussain M, Bauzá A, Lo KM, Frontera A. Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation in Acylhydrazones. Chempluschem. 83: 881-885. PMID 31950685 DOI: 10.1002/cplu.201800329 |
0.411 |
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| 2018 |
Hossain A, Seth SK, Bauzá A, Mukhopadhyay S, Frontera A. Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importance of N⁻H···π Interactions. Polymers. 10. PMID 30966218 DOI: 10.3390/polym10020182 |
0.379 |
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| 2018 |
Zhang X, Hao X, Liu L, Pham AT, López-Andarias J, Frontera A, Sakai N, Matile S. Primary Anion-π Catalysis and Autocatalysis. Journal of the American Chemical Society. PMID 30543410 DOI: 10.1021/Jacs.8B11788 |
0.383 |
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| 2018 |
Barbas R, Prohens R, Bauzá A, Franconetti A, Frontera A. H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates. Chemical Communications (Cambridge, England). 55: 115-118. PMID 30516180 DOI: 10.1039/c8cc09028a |
0.339 |
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| 2018 |
Derakhshanrad S, Mirzaei M, Najafi A, Ritchie C, Bauzá A, Frontera A, Mague JT. Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiWO]: a synthetic, structural and computational investigation. Acta Crystallographica. Section C, Structural Chemistry. 74: 1300-1309. PMID 30398183 DOI: 10.1107/S2053229618009580 |
0.374 |
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| 2018 |
Frontera A, Bauzá A. S⋅⋅⋅Sn Tetrel Bonds in the Activation of Peroxisome Proliferator-Activated Receptors (PPARs) by Organotin Molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). 24: 16582-16587. PMID 30240074 DOI: 10.1002/chem.201804676 |
0.415 |
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| 2018 |
Escudero-Adán EC, Bauzá A, Lecomte C, Frontera A, Ballester P. Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors. Physical Chemistry Chemical Physics : Pccp. PMID 30209451 DOI: 10.1039/c8cp04401e |
0.457 |
|
| 2018 |
Bauzá A, Frontera A. Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study. Molecules (Basel, Switzerland). 23. PMID 30029469 DOI: 10.3390/molecules23071770 |
0.433 |
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| 2018 |
Andleeb H, Khan I, Bauzá A, Tahir MN, Simpson J, Hameed S, Frontera A. A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π-π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates. Acta Crystallographica. Section C, Structural Chemistry. 74: 816-829. PMID 29973421 DOI: 10.1107/S2053229618008355 |
0.464 |
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| 2018 |
Bornhof AB, Bauzá A, Aster A, Pupier M, Frontera A, Vauthey E, Sakai N, Matile S. Synergistic Anion-(π)-π Catalysis on π-Stacked Foldamers. Journal of the American Chemical Society. PMID 29608309 DOI: 10.1021/Jacs.8B00809 |
0.346 |
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| 2018 |
Bauzá A, Frontera A. Chalcogen 'like-like' Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study. Molecules (Basel, Switzerland). 23. PMID 29562728 DOI: 10.3390/molecules23030699 |
0.525 |
|
| 2018 |
Bauzá A, Frontera A. Regium-π bonds: An unexplored link between noble metal nanoparticles and aromatic surfaces. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29521478 DOI: 10.1002/chem.201800820 |
0.386 |
|
| 2018 |
Prohens R, Portell A, Font-Bardia M, Bauzá A, Frontera A. H-Bonded anion-anion complex trapped in a squaramido-based receptor. Chemical Communications (Cambridge, England). 54: 1841-1844. PMID 29250617 DOI: 10.1039/c7cc09241e |
0.34 |
|
| 2018 |
Frontera A, Bauzá A. Concurrent aerogen bonding and lone pair/anion-π interactions in the stability of organoxenon derivatives: a combined CSD and ab initio study. Physical Chemistry Chemical Physics : Pccp. 19: 30063-30068. PMID 29095452 DOI: 10.1039/c7cp06685f |
0.494 |
|
| 2018 |
Bauzá A, Seth SK, Frontera A. Molecular electrostatic potential and "atoms-in-molecules" analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactions. Journal of Computational Chemistry. 39: 458-463. PMID 28667684 DOI: 10.1002/jcc.24869 |
0.42 |
|
| 2018 |
Bauzá A, Frontera A. Supramolecular nanotubes based on halogen bonding interactions: cooperativity and interaction with small guests. Physical Chemistry Chemical Physics : Pccp. 19: 12936-12941. PMID 28480457 DOI: 10.1039/c7cp01724c |
0.415 |
|
| 2018 |
Bauzá A, Frontera A. Theoretical study on σ- and π-hole carboncarbon bonding interactions: implications in CFC chemistry. Physical Chemistry Chemical Physics : Pccp. 18: 32155-32159. PMID 27849080 DOI: 10.1039/C6CP06449C |
0.478 |
|
| 2018 |
Bauzá A, Frontera A. Electrostatically enhanced FF interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study. Physical Chemistry Chemical Physics : Pccp. 18: 20381-8. PMID 27401347 DOI: 10.1039/c6cp03862j |
0.504 |
|
| 2018 |
Ghosh K, Harms K, Bauzá A, Frontera A, Chattopadhyay S. σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight Crystengcomm. 20: 7281-7292. DOI: 10.1039/C8CE01323C |
0.408 |
|
| 2018 |
Seth SK, Bauzá A, Mahmoudi G, Stilinović V, López-Torres E, Zaragoza G, Keramidas AD, Frontera A. On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds Crystengcomm. 20: 5033-5044. DOI: 10.1039/C8CE00919H |
0.368 |
|
| 2018 |
Naseer MM, Bauzá A, Alnasr H, Jurkschat K, Frontera A. Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]triazines Crystengcomm. 20: 3251-3257. DOI: 10.1039/C8Ce00666K |
0.401 |
|
| 2018 |
Barbas R, Prohens R, Font-Bardia M, Bauzá A, Frontera A. Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates Crystengcomm. 20: 4526-4530. DOI: 10.1039/C8CE00567B |
0.4 |
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| 2018 |
Mahmoudi G, Seth SK, Bauzá A, Zubkov FI, Gurbanov AV, White J, Stilinović V, Doert T, Frontera A. Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations Crystengcomm. 20: 2812-2821. DOI: 10.1039/C8CE00110C |
0.373 |
|
| 2018 |
Roy S, Drew MGB, Bauzá A, Frontera A, Chattopadhyay S. Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands New Journal of Chemistry. 42: 6062-6076. DOI: 10.1039/C7NJ05148D |
0.357 |
|
| 2018 |
Mahmoudi G, Zaręba JK, Bauzá A, Kubicki M, Bartyzel A, Keramidas AD, Butusov L, Mirosław B, Frontera A. Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects Crystengcomm. 20: 1065-1076. DOI: 10.1039/C7CE02166F |
0.333 |
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| 2018 |
Hussain M, Bauzá A, Frontera A, Lo KM, Naseer MM. Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin Crystengcomm. 20: 150-154. DOI: 10.1039/C7CE01697B |
0.383 |
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| 2018 |
Mahapatra P, Bauzá A, Frontera A, Drew MGB, Ghosh A. Syntheses of four new asymmetric Schiff bases and their Cu(II) complexes: Theoretical calculations to rationalize the packing of molecules in the crystals Inorganica Chimica Acta. 477: 89-101. DOI: 10.1016/J.Ica.2018.01.035 |
0.304 |
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| 2018 |
Ghorai P, Brandão P, Bauzá A, Frontera A, Saha A. Anion-reliant structural versatility of novel cadmium(II) complexes: Synthesis, crystal structures, photoluminescence properties and exploration of unusual O···S chalcogen bonding involving thiocyanate coligand Inorganica Chimica Acta. 469: 189-196. DOI: 10.1016/J.ICA.2017.09.005 |
0.311 |
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| 2017 |
Bauzá A, Quiñonero D, Frontera A. Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study. Molecules (Basel, Switzerland). 23. PMID 29271896 DOI: 10.3390/molecules23010018 |
0.494 |
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| 2017 |
Ghosh K, Harms K, Bauzá A, Frontera A, Chattopadhyay S. Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity. Dalton Transactions (Cambridge, England : 2003). PMID 29215111 DOI: 10.1039/c7dt03929h |
0.355 |
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| 2017 |
López-Andarias J, Frontera A, Matile S. Anion-π Catalysis on Fullerenes. Journal of the American Chemical Society. PMID 28902995 DOI: 10.1021/Jacs.7B08113 |
0.407 |
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| 2017 |
Jana NC, Brandão P, Bauzá A, Frontera A, Panja A. Influence of ancillary ligands on preferential geometry and biomimetic catalytic activity in manganese(III)-catecholate systems: A combined experimental and theoretical study. Journal of Inorganic Biochemistry. 176: 77-89. PMID 28865745 DOI: 10.1016/j.jinorgbio.2017.08.008 |
0.326 |
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| 2017 |
Garcia-LLinas X, Bauza A, Seth SK, Frontera A. On the Importance of R-CF3···O Tetrel Bonding Interactions in Biological Systems. The Journal of Physical Chemistry. A. PMID 28665599 DOI: 10.1021/acs.jpca.7b06052 |
0.389 |
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| 2017 |
Bauzá A, Frontera A. On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO Radicals: An ab Initio Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 18: 2191-2196. PMID 28599084 DOI: 10.1002/cphc.201700399 |
0.444 |
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| 2017 |
Bauzá A, Frontera A. On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications. Chemistry (Weinheim An Der Bergstrasse, Germany). 23: 5375-5380. PMID 28266755 DOI: 10.1002/chem.201700682 |
0.469 |
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| 2017 |
Bauzá A, Frontera A, Mooibroek TJ. NO- anions can act as Lewis acid in the solid state. Nature Communications. 8: 14522. PMID 28220788 DOI: 10.1038/ncomms14522 |
0.665 |
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| 2017 |
Halder S, Mondal J, Ortega-Castro J, Frontera A, Roy P. A Ni-based MOF for selective detection and removal of Hg(2+) in aqueous medium: a facile strategy. Dalton Transactions (Cambridge, England : 2003). PMID 28112319 DOI: 10.1039/c6dt04722j |
0.311 |
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| 2017 |
Terrón A, Moreno-Vachiano B, Bauzá A, García-Raso A, Fiol JJ, Barceló-Oliver M, Molins E, Frontera A. X-ray Crystal Structure of a Metalled Double-Helix Generated by Infinite and Consecutive C*-Ag -C* (C*:N -Hexylcytosine) Base Pairs through Argentophilic and Hydrogen Bond Interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 23: 2103-2108. PMID 27925327 DOI: 10.1002/chem.201604331 |
0.302 |
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| 2017 |
Mitra M, Hossain A, Manna P, Choudhury SR, Kaenket S, Helliwell M, Bauzá A, Frontera A, Mukhopadhyay S. Melamine-mediated self-assembly of a Cu(II)–methylmalonate complex assisted by π+–π+ and anti-electrostatic H-bonding interactions Journal of Coordination Chemistry. 70: 463-474. DOI: 10.1080/00958972.2016.1277709 |
0.312 |
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| 2017 |
Montis R, Arca M, Aragoni MC, Bauzá A, Demartin F, Frontera A, Isaia F, Lippolis V. Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen charge-transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors Crystengcomm. 19: 4401-4412. DOI: 10.1039/C7CE01035D |
0.345 |
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| 2017 |
Prohens R, Portell A, Font-Bardia M, Bauzá A, Frontera A. A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides Crystengcomm. 19: 3071-3077. DOI: 10.1039/C7CE00556C |
0.307 |
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| 2017 |
Andleeb H, Khan I, Bauzá A, Tahir MN, Simpson J, Hameed S, Frontera A. Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: A combined experimental and theoretical analysis Journal of Molecular Structure. 1139: 209-221. DOI: 10.1016/J.Molstruc.2017.03.046 |
0.388 |
|
| 2017 |
Jana S, Khan S, Bauzá A, Frontera A, Chattopadhyay S. The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex Journal of Molecular Structure. 1127: 355-360. DOI: 10.1016/j.molstruc.2016.07.062 |
0.4 |
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| 2017 |
Najafi A, Mirzaei M, Bauzá A, Mague JT, Frontera A. The roles of H-bonding, π-stacking, and antiparallel CO ⋯ CO interactions in the formation of a new Gd(III) coordination polymer based on pyridine-2,6-dicarboxylic acid Inorganic Chemistry Communications. 83: 24-26. DOI: 10.1016/J.Inoche.2017.05.029 |
0.385 |
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| 2017 |
Thakur S, Roy S, Bauzá A, Frontera A, Chattopadhyay S. Estimation of non-covalent C H⋯π, π⋯π (chelate ring) and hydrogen bonding interactions in vanadium(V) Schiff base complexes: Methylene spacer regulated variation in self-assembly Inorganica Chimica Acta. 467: 212-220. DOI: 10.1016/J.ICA.2017.07.056 |
0.359 |
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| 2017 |
Bauzá A, Frontera A. Competition between lone pair-π, halogen-π and triel bonding interactions involving BX3 (X = F, Cl, Br and I) compounds: an ab initio study Theoretical Chemistry Accounts. 136. DOI: 10.1007/s00214-017-2068-0 |
0.395 |
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| 2017 |
Roy S, Drew MGB, Bauzá A, Frontera A, Chattopadhyay S. A Combined Experimental and Theoretical Study to Explore the Importance of σ-Hole Carbon Bonding Interactions in Stabilizing Molecular Assemblies Chemistryselect. 2: 10586-10594. DOI: 10.1002/SLCT.201702123 |
0.384 |
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| 2017 |
Bauzá A, Frontera A. Back Cover: On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2
.
Radicals: An ab Initio Study (ChemPhysChem 16/2017) Chemphyschem. 18: 2302-2302. DOI: 10.1002/CPHC.201700855 |
0.316 |
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| 2016 |
Lucas X, Bauzá A, Frontera A, Quiñonero D. A thorough anion-π interaction study in biomolecules: on the importance of cooperativity effects. Chemical Science. 7: 1038-1050. PMID 29899893 DOI: 10.1039/c5sc01386k |
0.413 |
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| 2016 |
Bauzá A, Frontera A. On the Versatility of BH X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 17: 3181-3186. PMID 27428897 DOI: 10.1002/cphc.201600683 |
0.424 |
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| 2016 |
Pal P, Konar S, Lama P, Das K, Bauza A, Frontera A, Mukhopadhyay S. On the Importance of Noncovalent Carbon Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as Precursor of a Novel 2D Coordination Polymer. The Journal of Physical Chemistry. B. PMID 27295490 DOI: 10.1021/acs.jpcb.6b04046 |
0.337 |
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| 2016 |
Mahmoudi G, Bauzá A, Amini M, Molins E, Mague JT, Frontera A. On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions. Dalton Transactions (Cambridge, England : 2003). PMID 27278813 DOI: 10.1039/C6Dt01947A |
0.452 |
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| 2016 |
Bauzá A, Mooibroek TJ, Frontera A. σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 17: 1608-14. PMID 26972801 DOI: 10.1002/cphc.201600073 |
0.717 |
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| 2016 |
Mahmoudi G, Bauzá A, Frontera A. Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions. Dalton Transactions (Cambridge, England : 2003). 45: 4965-9. PMID 26863491 DOI: 10.1039/c6dt00131a |
0.474 |
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| 2016 |
Bauzá A, Mooibroek TJ, Frontera A. Tetrel Bonding Interactions. Chemical Record (New York, N.Y.). 16: 473-87. PMID 26814022 DOI: 10.1002/tcr.201500256 |
0.735 |
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| 2016 |
Bauzá A, Frontera A, Mooibroek TJ. 1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon. Physical Chemistry Chemical Physics : Pccp. 18: 1693-8. PMID 26674457 DOI: 10.1039/c5cp06350g |
0.72 |
|
| 2016 |
Bauzá A, Frontera A. π-Hole aerogen bonding interactions. Physical Chemistry Chemical Physics : Pccp. 17: 24748-53. PMID 26252726 DOI: 10.1039/c5cp03272e |
0.532 |
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| 2016 |
Bauzá A, Frontera A. RCH3···O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalent Carbon Bonds? Crystals. 6: 26. DOI: 10.3390/CRYST6030026 |
0.378 |
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| 2016 |
Prohens R, Portell A, Font-Bardia M, Bauzá A, Frontera A. Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides Crystengcomm. 18: 6437-6443. DOI: 10.1039/C6CE01299J |
0.329 |
|
| 2016 |
Banik R, Roy S, Kirillov AM, Bauza A, Frontera A, Rodríguez-Diéguez A, Salas JM, Maniukiewicz W, Das SK, Das S. Two mixed-ligand cadmium(II) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: Self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis Crystengcomm. 18: 5647-5657. DOI: 10.1039/c6ce00989a |
0.313 |
|
| 2016 |
Mahmoudi G, Castiñeiras A, Garczarek P, Bauzá A, Rheingold AL, Kinzhybalo V, Frontera A. Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu) Crystengcomm. 18: 1009-1023. DOI: 10.1039/C5Ce02371H |
0.327 |
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| 2016 |
Bauzá A, Mooibroek TJ, Frontera A. Towards design strategies for anion–π interactions in crystal engineering Crystengcomm. 18: 10-23. DOI: 10.1039/C5CE01813G |
0.614 |
|
| 2016 |
Báuza A, Frontera A, Mooibroek TJ. π-Hole Interactions Involving Nitro Compounds: Directionality of Nitrate Esters Crystal Growth & Design. 16: 5520-5524. DOI: 10.1021/ACS.CGD.6B00989 |
0.65 |
|
| 2016 |
Ghosh K, Banerjee A, Roy S, Bauzá A, Frontera A, Chattopadhyay S. A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms Polyhedron. 112: 86-95. DOI: 10.1016/j.poly.2016.03.008 |
0.358 |
|
| 2016 |
Roy S, Bauzá A, Frontera A, Chattopadhyay S. A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases Inorganica Chimica Acta. 450: 321-329. DOI: 10.1016/j.ica.2016.05.030 |
0.337 |
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| 2016 |
Bhowmik P, Das LK, Bauzá A, Chattopadhyay S, Frontera A, Ghosh A. Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies Inorganica Chimica Acta. 448: 26-33. DOI: 10.1016/J.Ica.2016.03.049 |
0.453 |
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| 2016 |
Bauzá A, García-Llinás X, Frontera A. Charge-assisted triel bonding interactions in solid state chemistry: A combined computational and crystallographic study Chemical Physics Letters. 666: 73-78. DOI: 10.1016/J.CPLETT.2016.11.010 |
0.377 |
|
| 2015 |
Estarellas C, Frontera A, Quiñonero D, Deyà PM. Theoretical and Crystallographic Study of the Dual σ/π Anion Binding Affinity of Quinolizinylium Cation. Journal of Chemical Theory and Computation. 4: 1981-9. PMID 26620339 DOI: 10.1021/ct800332y |
0.37 |
|
| 2015 |
Alkorta I, Blanco F, Elguero J, Estarellas C, Frontera A, Quiñonero D, Deyà PM. Simultaneous Interaction of Tetrafluoroethene with Anions and Hydrogen-Bond Donors: A Cooperativity Study. Journal of Chemical Theory and Computation. 5: 1186-94. PMID 26609628 DOI: 10.1021/ct800444e |
0.47 |
|
| 2015 |
Servati Gargari M, Stilinović V, Bauzá A, Frontera A, McArdle P, Van Derveer D, Ng SW, Mahmoudi G. Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26489982 DOI: 10.1002/Chem.201501916 |
0.402 |
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| 2015 |
Bauzá A, Mooibroek TJ, Frontera A. Corrigendum: The Bright Future of Unconventional σ/π-Hole Interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 3130. PMID 26489057 DOI: 10.1002/cphc.201500807 |
0.677 |
|
| 2015 |
Bauzá A, Frontera A. Theoretical Study on the Dual Behavior of XeO3 and XeF4 toward Aromatic Rings: Lone Pair-π versus Aerogen-π Interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 3625-30. PMID 26395336 DOI: 10.1002/cphc.201500757 |
0.433 |
|
| 2015 |
Bauzá A, Frontera A. Competition between Halogen Bonding and π-Hole Interactions Involving Various Donors: The Role of Dispersion Effects. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 3108-13. PMID 26272210 DOI: 10.1002/cphc.201500542 |
0.37 |
|
| 2015 |
Bauzá A, Mooibroek TJ, Frontera A. The bright future of unconventional σ/π-hole interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 2496-517. PMID 26118675 DOI: 10.1002/cphc.201500314 |
0.748 |
|
| 2015 |
Escudero-Adán EC, Bauzá A, Frontera A, Ballester P. Nature of Noncovalent Carbon-Bonding Interactions Derived from Experimental Charge-Density Analysis. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26098702 DOI: 10.1002/cphc.201500437 |
0.43 |
|
| 2015 |
Bauzá A, Frontera A. Aerogen Bonding Interaction: A New Supramolecular Force? Angewandte Chemie (International Ed. in English). 54: 7340-3. PMID 25950423 DOI: 10.1002/anie.201502571 |
0.514 |
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| 2015 |
Bauzá A, Quiñonero D, Frontera A, Ballester P. Reconciling experiment and theory in the use of aryl-extended calix[4]pyrrole receptors for the experimental quantification of chloride-π interactions in solution. International Journal of Molecular Sciences. 16: 8934-48. PMID 25913375 DOI: 10.3390/ijms16048934 |
0.36 |
|
| 2015 |
Hazari A, Kanta Das L, Kadam RM, Bauzá A, Frontera A, Ghosh A. Unprecedented structural variations in trinuclear mixed valence Co(II/III) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities. Dalton Transactions (Cambridge, England : 2003). 44: 3862-76. PMID 25611163 DOI: 10.1039/C4Dt03446E |
0.386 |
|
| 2015 |
Bauzá A, Mooibroek TJ, Frontera A. Directionality of π-holes in nitro compounds. Chemical Communications (Cambridge, England). 51: 1491-3. PMID 25493451 DOI: 10.1039/c4cc09132a |
0.676 |
|
| 2015 |
Eftekhar M, Mirzaei M, Hassanpoor A, Khosravi I, Bauzá A, Mague JT, Frontera A. The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylate: synthesis, X-ray crystal structure, and DFT studies Journal of Coordination Chemistry. 68: 3599-3610. DOI: 10.1080/00958972.2015.1077953 |
0.336 |
|
| 2015 |
Mirzaei M, Eshtiagh-Hosseini H, Shamsipur M, Saeedi M, Ardalani M, Bauzá A, Mague JT, Frontera A, Habibi M. Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through a proton transfer mechanism Rsc Advances. 5: 72923-72936. DOI: 10.1039/C5Ra09526C |
0.409 |
|
| 2015 |
Murcia-García C, Bauzá A, Frontera A, Streubel R. On the nature of M-CO(lone pair)···π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes Crystengcomm. 17: 6736-6743. DOI: 10.1039/C5Ce01331C |
0.435 |
|
| 2015 |
Bauzá A, Frontera A, Mooibroek TJ, Reedijk J. The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions Crystengcomm. 17: 3768-3771. DOI: 10.1039/C5Ce00352K |
0.687 |
|
| 2015 |
Murcia-García C, Bauzá A, Schnakenburg G, Frontera A, Streubel R. Surprising behaviour of M-CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes Crystengcomm. 17: 1769-1772. DOI: 10.1039/C5Ce00104H |
0.351 |
|
| 2015 |
Mirzaei M, Eshtiagh-Hosseini H, Bazargan M, Mehrzad F, Shahbazi M, Mague JT, Bauzá A, Frontera A. Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights Inorganica Chimica Acta. 438: 135-145. DOI: 10.1016/J.Ica.2015.08.030 |
0.318 |
|
| 2015 |
Banik R, Roy S, Bauza A, Frontera A, Rodríguez-Diéguez A, Salas JM, Kirillov AM, Chowdhury S, Das SK, Das S. Supramolecular interactions through lone pair(lp)-π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N′-dimethylvioluric acid: A combined experimental and theoretical study Inorganica Chimica Acta. 435: 178-186. DOI: 10.1016/j.ica.2015.06.018 |
0.397 |
|
| 2015 |
Mirzaei M, Hassanpoor A, Bauzá A, Mague JT, Frontera A. A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline Inorganica Chimica Acta. 426: 136-141. DOI: 10.1016/J.Ica.2014.10.032 |
0.317 |
|
| 2015 |
Sadhukhan D, Maiti M, Pilet G, Bauzá A, Frontera A, Mitra S. Hydrogen bond, π-π, and CH-π interactions governing the supramolecular assembly of some hydrazone ligands and their MnII complexes - Structural and theoretical interpretation European Journal of Inorganic Chemistry. 2015: 1958-1972. DOI: 10.1002/ejic.201500030 |
0.426 |
|
| 2015 |
Bauzá A, Mooibroek TJ, Frontera A. Inside Cover: The Bright Future of Unconventional σ/π-Hole Interactions (ChemPhysChem 12/2015) Chemphyschem. 16: 2478-2478. DOI: 10.1002/CPHC.201500625 |
0.676 |
|
| 2014 |
Bauzá A, Mooibroek TJ, Frontera A. Non-covalent sp(3) carbon bonding with ArCF3 is analogous to CH-π interactions. Chemical Communications (Cambridge, England). 50: 12626-9. PMID 25198298 DOI: 10.1039/c4cc05602g |
0.702 |
|
| 2014 |
Bauzá A, Mooibroek TJ, Frontera A. Small cycloalkane (CN)2C-C(CN)2 structures are highly directional non-covalent carbon-bond donors. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 10245-8. PMID 25042133 DOI: 10.1002/chem.201403680 |
0.664 |
|
| 2014 |
Bauzá A, Mooibroek TJ, Frontera A. Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes. Physical Chemistry Chemical Physics : Pccp. 16: 19192-7. PMID 25005519 DOI: 10.1039/c4cp01983k |
0.721 |
|
| 2014 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. Long-range effects in anion-π interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 6985-90. PMID 24740694 DOI: 10.1002/chem.201304995 |
0.307 |
|
| 2014 |
Bauzá A, Ramis R, Frontera A. A combined theoretical and Cambridge Structural Database study of π-hole pnicogen bonding complexes between electron rich molecules and both nitro compounds and inorganic bromides (YO2Br, Y = N, P, and As). The Journal of Physical Chemistry. A. 118: 2827-34. PMID 24679186 DOI: 10.1021/jp502301n |
0.49 |
|
| 2014 |
Sasmal A, Bauzá A, Frontera A, Rizzoli C, Desplanches C, Charbonnière LJ, Mitra S. Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores. Dalton Transactions (Cambridge, England : 2003). 43: 6195-211. PMID 24595490 DOI: 10.1039/c3dt52162a |
0.349 |
|
| 2014 |
Adriaenssens L, Gil-Ramírez G, Frontera A, Quiñonero D, Escudero-Adán EC, Ballester P. Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system. Journal of the American Chemical Society. 136: 3208-18. PMID 24494711 DOI: 10.1021/ja412098v |
0.305 |
|
| 2014 |
Bauzá A, Deyà PM, Frontera A, Quiñonero D. Substituent effects in cation-π interactions revisited: a general approach based on intrinsic properties of the arenes. Physical Chemistry Chemical Physics : Pccp. 16: 1322-6. PMID 24310846 DOI: 10.1039/c3cp54147a |
0.353 |
|
| 2014 |
Orvay F, Bauzá A, Barceló-Oliver M, García-Raso A, Fiol JJ, Costa A, Molins E, Mata I, Frontera A. Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions Crystengcomm. 16: 9043-9053. DOI: 10.1039/C4CE01425A |
0.384 |
|
| 2014 |
Mirzaei M, Eshtiagh-Hosseini H, Karrabi Z, Molčanov K, Eydizadeh E, Mague JT, Bauzá A, Frontera A. Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions Crystengcomm. 16: 5352-5363. DOI: 10.1039/C4Ce00325J |
0.327 |
|
| 2014 |
Eshtiagh-Hosseini H, Mirzaei M, Zarghami S, Bauzá A, Frontera A, Mague JT, Habibi M, Shamsipur M. Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking Crystengcomm. 16: 1359-1377. DOI: 10.1039/C3Ce41730A |
0.306 |
|
| 2014 |
Manna P, Seth SK, Mitra M, Choudhury SR, Bauzá A, Frontera A, Mukhopadhyay S. Experimental and computational study of counterintuitive ClO4 -⋯ClO4 - interactions and the interplay between π+-π and anion⋯π+ interactions Crystal Growth and Design. 14: 5812-5821. DOI: 10.1021/cg5014126 |
0.364 |
|
| 2014 |
Bauzá A, Ramis R, Frontera A. Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives Computational and Theoretical Chemistry. 1038: 67-70. DOI: 10.1016/J.COMPTC.2014.04.010 |
0.422 |
|
| 2013 |
Bauzá A, Alkorta I, Frontera A, Elguero J. On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors. Journal of Chemical Theory and Computation. 9: 5201-10. PMID 26583427 DOI: 10.1021/ct400818v |
0.396 |
|
| 2013 |
Bauzá A, Mooibroek TJ, Frontera A. Tetrel-bonding interaction: rediscovered supramolecular force? Angewandte Chemie (International Ed. in English). 52: 12317-21. PMID 24123575 DOI: 10.1002/anie.201306501 |
0.735 |
|
| 2013 |
Degtyarenko AS, Rusanov EB, Bauzá A, Frontera A, Krautscheid H, Chernega AN, Mokhir AA, Domasevitch KV. Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH···F bonds. Chemical Communications (Cambridge, England). 49: 9018-20. PMID 23970336 DOI: 10.1039/c3cc45271a |
0.33 |
|
| 2013 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. On the importance of anion-π interactions in the mechanism of sulfide:quinone oxidoreductase. Chemistry, An Asian Journal. 8: 2708-13. PMID 23907989 DOI: 10.1002/asia.201300786 |
0.307 |
|
| 2013 |
Tasada A, Albertí FM, Bauzá A, Barceló-Oliver M, García-Raso A, Fiol JJ, Molins E, Caubet A, Frontera A. Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands. Chemical Communications (Cambridge, England). 49: 4944-6. PMID 23603821 DOI: 10.1039/c3cc40772a |
0.385 |
|
| 2013 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. Is the use of diffuse functions essential for the properly description of noncovalent interactions involving anions? The Journal of Physical Chemistry. A. 117: 2651-5. PMID 23465073 DOI: 10.1021/jp312755z |
0.34 |
|
| 2013 |
Aragay G, Frontera A, Lloveras V, Vidal-Gancedo J, Ballester P. Different nature of the interactions between anions and HAT(CN)6: from reversible anion-π complexes to irreversible electron-transfer processes (HAT(CN)6 = 1,4,5,8,9,12-hexaazatriphenylene). Journal of the American Chemical Society. 135: 2620-7. PMID 23339278 DOI: 10.1021/ja309960m |
0.305 |
|
| 2013 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. Anion–π interactions in [S4N3]+ rings New Journal of Chemistry. 37: 2636. DOI: 10.1039/C3NJ00424D |
0.317 |
|
| 2013 |
Seth P, Bauzá A, Frontera A, Massera C, Gamez P, Ghosh A. Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers Crystengcomm. 15: 3031-3039. DOI: 10.1039/c3ce00058c |
0.356 |
|
| 2013 |
Mitra M, Manna P, Seth SK, Das A, Meredith J, Helliwell M, Bauzá A, Choudhury SR, Frontera A, Mukhopadhyay S. Salt-bridge-π (sb-π) interactions at work: Associative interactions of sb-π, π-π And anion-π in Cu(ii)-malonate-2-aminopyridine- hexafluoridophosphate ternary system Crystengcomm. 15: 686-696. DOI: 10.1039/c2ce26790j |
0.357 |
|
| 2013 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. Halogen bonding versuschalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study Crystengcomm. 15: 3137-3144. DOI: 10.1039/C2CE26741A |
0.38 |
|
| 2012 |
Estarellas C, Quiñonero D, Deyà PM, Frontera A. Anion-π interactions involving [MX(n)](m-) anions: a comprehensive theoretical study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 145-54. PMID 23055329 DOI: 10.1002/cphc.201200654 |
0.373 |
|
| 2012 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. Pnicogen-π complexes: theoretical study and biological implications. Physical Chemistry Chemical Physics : Pccp. 14: 14061-6. PMID 22990326 DOI: 10.1039/C2CP42672B |
0.44 |
|
| 2012 |
Brooker S, White NG, Bauzá A, Deyà PM, Frontera A. Understanding the forces that govern packing: a density functional theory and structural investigation of anion-π-anion and nonclassical C-H···anion interactions. Inorganic Chemistry. 51: 10334-40. PMID 22974250 DOI: 10.1021/Ic3014688 |
0.483 |
|
| 2012 |
Cañellas P, Bauzá A, García-Raso A, Fiol JJ, Deyà PM, Molins E, Mata I, Frontera A. Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine Dalton Transactions. 41: 11161-11169. PMID 22868487 DOI: 10.1039/c2dt31162c |
0.385 |
|
| 2012 |
Kar P, Biswas R, Drew MG, Frontera A, Ghosh A. Host-guest supramolecular interactions in the coordination compounds of 4,4'-azobis(pyridine) with MnX2 (X = NCS–, NCNCN–, and PF6(–)): structural analyses and theoretical study. Inorganic Chemistry. 51: 1837-51. PMID 22272694 DOI: 10.1021/Ic202129A |
0.419 |
|
| 2012 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. Theoretical ab initio study of anion–π interactions in inorganic rings Chemical Physics Letters. 530: 145-150. DOI: 10.1016/J.CPLETT.2012.01.079 |
0.346 |
|
| 2012 |
Quiñonero D, Frontera A, Deyà PM. Interplay between ion–π and Ar/π Van der Waals interactions Computational and Theoretical Chemistry. 998: 51-56. DOI: 10.1016/J.COMPTC.2012.05.042 |
0.347 |
|
| 2012 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones Computational and Theoretical Chemistry. 998: 20-25. DOI: 10.1016/J.COMPTC.2012.05.011 |
0.371 |
|
| 2012 |
Bauzá A, Quiñonero D, Deyà PM, Frontera A. Tuning of the anion–π interaction Theoretical Chemistry Accounts. 131. DOI: 10.1007/s00214-012-1219-6 |
0.317 |
|
| 2011 |
Garau C, Frontera A, Quiñonero D, Russo N, Deyà PM. RI-MP2 and MPWB1K Study of π-Anion-π' Complexes: MPWB1K Performance and Some Additivity Aspects. Journal of Chemical Theory and Computation. 7: 3012-3018. PMID 26605488 DOI: 10.1021/Ct200405W |
0.309 |
|
| 2011 |
Bauzá A, Quiñonero D, Frontera A, Deyà PM. Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study. Physical Chemistry Chemical Physics : Pccp. 13: 20371-9. PMID 21993568 DOI: 10.1039/c1cp22456e |
0.481 |
|
| 2011 |
Frontera A, Gamez P, Mascal M, Mooibroek TJ, Reedijk J. Putting anion-π interactions into perspective. Angewandte Chemie (International Ed. in English). 50: 9564-83. PMID 21928463 DOI: 10.1002/Anie.201100208 |
0.73 |
|
| 2011 |
Estarellas C, Frontera A, Quiñonero D, Deyà PM. Radical cation (C˙(+)-π) and radical anion (A˙(-)-π) interactions with aromatic rings: energetic, orbitalic and spin density considerations. Physical Chemistry Chemical Physics : Pccp. 13: 16698-705. PMID 21858281 DOI: 10.1039/c1cp21685f |
0.409 |
|
| 2011 |
Estarellas C, Frontera A, Quiñonero D, Deyà PM. Theoretical study on cooperativity effects between anion-π and halogen-bonding interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 2742-50. PMID 21853517 DOI: 10.1002/cphc.201100492 |
0.506 |
|
| 2011 |
Estarellas C, Frontera A, Quiñonero D, Deyà PM. Anion-π interactions in flavoproteins. Chemistry, An Asian Journal. 6: 2316-8. PMID 21717578 DOI: 10.1002/asia.201100285 |
0.391 |
|
| 2011 |
Estarellas C, Frontera A, Quiñonero D, Deyà PM. Unexpected nonadditivity effects in anion-π complexes. The Journal of Physical Chemistry. A. 115: 7849-57. PMID 21619031 DOI: 10.1021/jp2038416 |
0.414 |
|
| 2011 |
Estarellas C, Bauzá A, Frontera A, Quiñonero D, Deyà PM. On the directionality of anion-π interactions. Physical Chemistry Chemical Physics : Pccp. 13: 5696-702. PMID 21308141 DOI: 10.1039/c0cp01894e |
0.457 |
|
| 2011 |
Estarellas C, Frontera A, Quiñonero D, Deyà P. Can lone pair-π and cation-π interactions coexist? A theoretical study Open Chemistry. 9: 25-34. DOI: 10.2478/s11532-010-0127-7 |
0.443 |
|
| 2011 |
Das A, Choudhury SR, Estarellas C, Dey B, Frontera A, Hemming J, Helliwell M, Gamez P, Mukhopadhyay S. Supramolecular assemblies involving anion-π and lone pair-π interactions: Experimental observation and theoretical analysis Crystengcomm. 13: 4519-4527. DOI: 10.1039/c0ce00593b |
0.36 |
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| 2011 |
Seth SK, Saha I, Estarellas C, Frontera A, Kar T, Mukhopadhyay S. Supramolecular self-assembly of M-IDA complexes involving lone-pair ⋯φ Interactions: Crystal structures, hirshfeld surface analysis, and DFT calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)] Crystal Growth and Design. 11: 3250-3265. DOI: 10.1021/cg200506q |
0.377 |
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| 2011 |
Biswas S, Naiya S, Drew MGB, Estarellas C, Frontera A, Ghosh A. Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: Structural characterization and theoretical investigation Inorganica Chimica Acta. 366: 219-226. DOI: 10.1016/J.Ica.2010.11.005 |
0.385 |
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| 2011 |
Quiñonero D, Estarellas C, Frontera A, Deyà PM. A methodological analysis for the assessment of non-covalent π interactions Chemical Physics Letters. 508: 144-148. DOI: 10.1016/J.CPLETT.2011.04.004 |
0.303 |
|
| 2011 |
Estarellas C, Frontera A, Quiñonero D, Deyà PM. Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π–π interactions Computational and Theoretical Chemistry. 975: 106-110. DOI: 10.1016/J.COMPTC.2010.12.029 |
0.454 |
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| 2011 |
Frontera A, Quiñonero D, Deyà PM. Cation-π and anion-π interactions Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 440-459. DOI: 10.1002/wcms.14 |
0.397 |
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| 2011 |
Frontera A, Quinonero D, Deya PM. ChemInform Abstract: Cation-π and Anion-π Interactions Cheminform. 42: no-no. DOI: 10.1002/CHIN.201147277 |
0.379 |
|
| 2010 |
Lucas X, Quiñonero D, Frontera A, Deyà PM. The role of the ethynyl substituent on the π-π stacking affinity of benzene: a theoretical study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 283-8. PMID 21275020 DOI: 10.1002/cphc.201000891 |
0.377 |
|
| 2010 |
Lucas X, Frontera A, Quiñonero D, Deyà PM. Substituent effects in ion-pi interactions: fine-tuning via the ethynyl group. The Journal of Physical Chemistry. A. 114: 1926-30. PMID 20043658 DOI: 10.1021/jp9089672 |
0.42 |
|
| 2010 |
Naiya S, Drew MGB, Estarellas C, Frontera A, Ghosh A. Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate Schiff base ligand in dinuclear nickel(II) complex: An experimental and theoretical study Inorganica Chimica Acta. 363: 3904-3913. DOI: 10.1016/J.Ica.2010.07.058 |
0.34 |
|
| 2009 |
Lucas X, Quiñonero D, Frontera A, Deyà PM. Counterintuitive substituent effect of the ethynyl group in ion-pi interactions. The Journal of Physical Chemistry. A. 113: 10367-75. PMID 19757849 DOI: 10.1021/jp905701p |
0.346 |
|
| 2009 |
Lucas X, Estarellas C, Escudero D, Frontera A, Quiñonero D, Deyà PM. Very long-range effects: cooperativity between anion-pi and hydrogen-bonding interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 10: 2256-64. PMID 19572370 DOI: 10.1002/cphc.200900157 |
0.5 |
|
| 2009 |
Estarellas C, Rotger MC, Capó M, Quiñonero D, Frontera A, Costa A, Deyà PM. Anion-pi interactions in four-membered rings. Organic Letters. 11: 1987-90. PMID 19344181 DOI: 10.1021/ol900470r |
0.336 |
|
| 2009 |
Estarellas C, Frontera A, Quiñonero D, Alkorta I, Deyà PM, Elguero J. Energetic vs synergetic stability: a theoretical study. The Journal of Physical Chemistry. A. 113: 3266-73. PMID 19271759 DOI: 10.1021/jp811345e |
0.446 |
|
| 2009 |
Angel GR, Albertí FM, Fiol JJ, Tasada A, Miquel BO, Molins E, Estarellas C, Frontera A, Quinonero D, Deyà PM. 2-Aminopyrimidine derivatives exhibiting anion- π interactions: A combined crystallographic and theoretical study Crystal Growth and Design. 9: 2363-2376. DOI: 10.1021/cg801245g |
0.49 |
|
| 2009 |
Estarellas C, Frontera A, Quiñonero D, Deyà PM. Interplay between cation–π and hydrogen bonding interactions: Are non-additivity effects additive? Chemical Physics Letters. 479: 316-320. DOI: 10.1016/J.CPLETT.2009.08.035 |
0.426 |
|
| 2009 |
Escudero D, Estarellas C, Frontera A, Quiñonero D, Deyà PM. Theoretical and crystallographic study of edge-to-face aromatic interactions between pyridine moieties and benzene Chemical Physics Letters. 468: 280-285. DOI: 10.1016/J.CPLETT.2008.12.007 |
0.319 |
|
| 2009 |
Alkorta I, Blanco F, Deyà PM, Elguero J, Estarellas C, Frontera A, Quiñonero D. Cooperativity in multiple unusual weak bonds Theoretical Chemistry Accounts. 126: 1-14. DOI: 10.1007/S00214-009-0690-1 |
0.359 |
|
| 2009 |
Estarellas C, Escudero D, Frontera A, Quiñonero D, Deyà PM. Theoretical ab initio study of the interplay between hydrogen bonding, cation–π and π–π interactions Theoretical Chemistry Accounts. 122: 325-332. DOI: 10.1007/S00214-009-0517-0 |
0.443 |
|
| 2009 |
Biswas C, Drew MGB, Escudero D, Frontera A, Ghosh A. Anion–π, Lone-Pair–π, π–π and Hydrogen-Bonding Interactions in a CuII Complex of 2-Picolinate and Protonated 4,4′-Bipyridine: Crystal Structure and Theoretical Studies European Journal of Inorganic Chemistry. 2009: 2238-2246. DOI: 10.1002/Ejic.200900110 |
0.477 |
|
| 2008 |
Escudero D, Frontera A, Quiñonero D, Deyà PM. Interplay between edge-to-face aromatic and hydrogen-bonding interactions. The Journal of Physical Chemistry. A. 112: 6017-22. PMID 18543887 DOI: 10.1021/jp802370s |
0.483 |
|
| 2008 |
Barrios LA, Aromí G, Frontera A, Quiñonero D, Deyà PM, Gamez P, Roubeau O, Shotton EJ, Teat SJ. Coordination complexes exhibiting anion...pi interactions: synthesis, structure, and theoretical studies. Inorganic Chemistry. 47: 5873-81. PMID 18510284 DOI: 10.1021/Ic800215R |
0.307 |
|
| 2008 |
Escudero D, Frontera A, Quiñonero D, Deyà PM. Interplay between anion-pi and hydrogen bonding interactions. Journal of Computational Chemistry. 30: 75-82. PMID 18508295 DOI: 10.1002/jcc.21031 |
0.492 |
|
| 2008 |
Estarellas C, Quiñonero D, Frontera A, Ballester P, Morey J, Costa A, Deyà PM. MP2 study of the dual sigma/pi-anion-binding affinity of fluorinated phthallic acid anhydrides. The Journal of Physical Chemistry. A. 112: 1622-6. PMID 18220377 DOI: 10.1021/jp710572f |
0.32 |
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| 2008 |
Rotger C, Soberats B, Quiñonero D, Frontera A, Ballester P, Benet-Buchholz J, Deyà PM, Costa A. Crystallographic and theoretical evidence of anion-π and hydrogen-bonding interactions in a squaramide-nitrate salt European Journal of Organic Chemistry. 1864-1868. DOI: 10.1002/ejoc.200701209 |
0.463 |
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| 2007 |
Quiñonero D, Frontera A, Escudero D, Ballester P, Costa A, Deyà PM. A theoretical study of anion-pi interactions in seven-membered rings. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 1182-7. PMID 17492729 DOI: 10.1002/cphc.200700100 |
0.422 |
|
| 2007 |
Frontera A, Quiñonero D, Costa A, Ballester P, Deyà PM. MP2 study of cooperative effects between cation-π, anion-π and π-π interactions New Journal of Chemistry. 31: 556-560. DOI: 10.1039/b612848c |
0.394 |
|
| 2007 |
Garcia-Raso A, Albertí FM, Fiol JJ, Tasada A, Barceló-Oliver M, Molins E, Escudero D, Frontera A, Quiñonero D, Deyà PM. A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyrimidine) Salts European Journal of Organic Chemistry. 2007: 5821-5825. DOI: 10.1002/EJOC.200700809 |
0.301 |
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| 2006 |
Frontera A, Quiñonero D, Garau C, Costa A, Ballester P, Deyà PM. MP2 study of cation-(pi)n-pi interactions (n = 1-4). The Journal of Physical Chemistry. A. 110: 9307-9. PMID 16869676 DOI: 10.1021/jp062176e |
0.345 |
|
| 2006 |
Frontera A, Saczewski F, Gdaniec M, Dziemidowicz-Borys E, Kurland A, Deyà PM, Quiñonero D, Garau C. Anion-pi interactions in cyanuric acids: a combined crystallographic and computational study. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 6560-7. PMID 16100737 DOI: 10.1002/CHEM.200500783 |
0.373 |
|
| 2006 |
Frontera A, Orell M, Garau C, Quiñonero D, Molins E, Mata I, Morey J. Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide. Organic Letters. 7: 1437-40. PMID 15816721 DOI: 10.1021/ol0474608 |
0.428 |
|
| 2006 |
Frontera A, Orell M, Garau C, Quiñonero D, Molins E, Mata I, Morey J. Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide. Organic Letters. 7: 1437-40. PMID 15816721 DOI: 10.1021/ol0474608 |
0.428 |
|
| 2006 |
Garau C, Frontera A, Quinonero D, Ballester P, Costa A, Deya PM. Anion-π Interactions Cheminform. 37. DOI: 10.1002/CHIN.200614276 |
0.391 |
|
| 2005 |
Garau C, Quiñonero D, Frontera A, Ballester P, Costa A, Deyà PM. Approximate additivity of anion-pi interactions: an ab initio study on anion-pi, anion-pi(2) and anion-pi(3) complexes. The Journal of Physical Chemistry. A. 109: 9341-5. PMID 16833275 DOI: 10.1021/jp053380p |
0.363 |
|
| 2004 |
Ballester P, Capó M, Costa A, Deyà PM, Frontera A, Gomila R. Self-assembly of [2]rotaxane exploiting reversible Pt(II)- pyridine coordinate bonds. Molecules (Basel, Switzerland). 9: 278-86. PMID 18007431 DOI: 10.3390/90500278 |
0.31 |
|
| 2004 |
Rotger MC, Piña MN, Frontera A, Martorell G, Ballester P, Deyà PM, Costa A. Conformational preferences and self-template macrocyclization of squaramide-based foldable modules. The Journal of Organic Chemistry. 69: 2302-8. PMID 15049622 DOI: 10.1021/jo035546t |
0.302 |
|
| 2004 |
Garau C, Frontera A, Quiñonero D, Ballester P, Costa A, Deyà PM. Cation-π vs anion-π interactions: a complete π-orbital analysis Chemical Physics Letters. 399: 220-225. DOI: 10.1016/j.cplett.2004.10.014 |
0.39 |
|
| 2004 |
Garau C, Frontera A, Quiñonero D, Ballester P, Costa A, Deyà PM. Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features Chemical Physics Letters. 392: 85-89. DOI: 10.1016/J.CPLETT.2004.05.049 |
0.332 |
|
| 2003 |
Frontera A, Garau C, Quiñonero D, Ballester P, Costa A, Deyà PM. Weak C-H/pi interaction participates in the diastereoselectivity of a host-guest complex in the presence of six strong hydrogen bonds. Organic Letters. 5: 1135-8. PMID 12659592 DOI: 10.1021/ol034247n |
0.379 |
|
| 2003 |
Garau C, Frontera A, Quiñonero D, Ballester P, Costa A, Deyà PM. Anion-π interactions in five-membered rings: a combined crystallographic and ab initio study Chemical Physics Letters. 382: 534-540. DOI: 10.1016/J.CPLETT.2003.10.056 |
0.381 |
|
| 2002 |
Quiñonero D, Garau C, Rotger C, Frontera A, Ballester P, Costa A, Deyà PM. Anion-pi Interactions: do they exist? Angewandte Chemie (International Ed. in English). 41: 3389-92. PMID 12298041 DOI: 10.1002/1521-3773(20020916)41:18<3389::AID-ANIE3389>3.0.CO;2-S |
0.335 |
|
| 2002 |
Quiñonero D, Garau C, Frontera A, Ballester P, Costa A, Deyà PM. Quantification of aromaticity in oxocarbons: the problem of the fictitious "nonaromatic" reference system. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 433-8. PMID 11843155 DOI: 10.1002/1521-3765(20020118)8:2<433::AID-CHEM433>3.0.CO;2-T |
0.306 |
|
| 2002 |
Garau C, Quiñonero D, Frontera A, Ballester P, Costa A, Deyà PM. Anion–π interactions: must the aromatic ring be electron deficient? New Journal of Chemistry. 27: 211-214. DOI: 10.1039/B210110F |
0.315 |
|
| 2002 |
Quiñonero D, Garau C, Frontera A, Ballester P, Costa A, Deyà PM. Counterintuitive interaction of anions with benzene derivatives Chemical Physics Letters. 359: 486-492. DOI: 10.1016/S0009-2614(02)00709-1 |
0.355 |
|
| 2000 |
Quiñonero D, Frontera A, Tomàs S, Suñer GA, Morey J, Costa A, Ballester P, Deyà PM. Squaramido-Based Receptors : Applicability of Molecular Interaction Potential to Molecular Recognition of Polyalkylammonium Compounds Theoretical Chemistry Accounts. 104: 50-66. DOI: 10.1007/S002149900103 |
0.312 |
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