| Year |
Citation |
Score |
| 2023 |
Pozdeev AS, Rublev P, Boldyrev AI. Bismuth Infrared Star: being at a glance. Chemistry (Weinheim An Der Bergstrasse, Germany). e202301663. PMID 37496160 DOI: 10.1002/chem.202301663 |
0.324 |
|
| 2022 |
Xu HL, Tkachenko NV, Szczepanik DW, Popov IA, Muñoz-Castro A, Boldyrev AI, Sun ZM. Symmetry collapse due to the presence of multiple local aromaticity in Ge. Nature Communications. 13: 2149. PMID 35444180 DOI: 10.1038/s41467-022-29626-5 |
0.357 |
|
| 2021 |
Tkachenko NV, Muñoz-Castro A, Boldyrev AI. Occurrence of Double Bond in -Aromatic Rings: An Easy Way to Design Doubly Aromatic Carbon-Metal Structures. Molecules (Basel, Switzerland). 26. PMID 34885812 DOI: 10.3390/molecules26237232 |
0.326 |
|
| 2021 |
Chen WJ, Kulichenko M, Choi HW, Cavanagh J, Yuan DF, Boldyrev AI, Wang LS. Photoelectron Spectroscopy of Size-Selected Bismuth-Boron Clusters: BiB ( = 6-8). The Journal of Physical Chemistry. A. PMID 34333984 DOI: 10.1021/acs.jpca.1c05846 |
0.41 |
|
| 2021 |
Xu YH, Tkachenko NV, Popov IA, Qiao L, Muñoz-Castro A, Boldyrev AI, Sun ZM. Ternary aromatic and anti-aromatic clusters derived from the hypho species [SnSb]. Nature Communications. 12: 4465. PMID 34294702 DOI: 10.1038/s41467-021-24706-4 |
0.315 |
|
| 2020 |
Narendrapurapu BS, Bowman MC, Xie Y, Schaefer HF, Tkachenko NV, Boldyrev AI, Li G. Dibridged, Monobridged, Vinylidene-Like, and Linear Structures for the Alkaline Earth Dihydrides BeH, MgH, CaH, SrH, and BaH. Proposals for Observations. Inorganic Chemistry. PMID 32674579 DOI: 10.1021/Acs.Inorgchem.0C01651 |
0.339 |
|
| 2020 |
Xu HL, Popov I, Tkachenko N, Wang ZC, Muñoz-Castro A, Boldyrev AI, Sun ZM. σ-Aromaticity-Induced Stabilization of Heterometallic Supertetrahedral Clusters [Zn6Ge16]4- and [Cd6Ge16]4. Angewandte Chemie (International Ed. in English). PMID 32608037 DOI: 10.1002/Anie.202008276 |
0.434 |
|
| 2020 |
Wang ZC, Tkachenko NV, Qiao L, Matito E, Muñoz-Castro A, Boldyrev AI, Sun ZM. All-metal σ-antiaromaticity in dimeric cluster anion {[CuGeMes]}. Chemical Communications (Cambridge, England). PMID 32400811 DOI: 10.1039/D0Cc02525A |
0.382 |
|
| 2020 |
Liu G, Fedik N, Martinez-Martinez C, Ciborowski SM, Zhang X, Boldyrev AI, Bowen KH. Reply to the Comment on "Realization of Lewis Basic Sodium Anion in the NaBH Cluster". Angewandte Chemie (International Ed. in English). PMID 32350985 DOI: 10.1002/Ange.202005259 |
0.435 |
|
| 2020 |
Fedik N, Mu C, Popov I, Wang W, Wang J, Wang H, Bowen KH, Boldyrev A, Zhang X. Boron-made N2: Realization of a B≡B Triple Bond in the B2Al3- Cluster. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32253796 DOI: 10.1002/Chem.202001159 |
0.497 |
|
| 2020 |
Steglenko DV, Tkachenko NV, Boldyrev AI, Minyaev RM, Minkin VI. Stability, electronic, and optical properties of two-dimensional phosphoborane. Journal of Computational Chemistry. PMID 32176381 DOI: 10.1002/Jcc.26189 |
0.302 |
|
| 2020 |
Fedik N, Kulichenko M, Steglenko D, Boldyrev AI. Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon. Chemical Communications (Cambridge, England). PMID 32022006 DOI: 10.1039/C9Cc09483K |
0.315 |
|
| 2020 |
Starikov AG, Starikova AA, Minyaev RM, Minkin VI, Boldyrev AI. o-Quinone phenalenyl derivatives as expedient ligands for the design of magnetically active metal complexes: A computational study Chemical Physics Letters. 740: 137073. DOI: 10.1016/J.Cplett.2019.137073 |
0.342 |
|
| 2020 |
Lundell K, Olson J, Boldyrev A. Exploring the limits of electronic transmutation: Ab initio study of LinBen (n = 3–5) Chemical Physics Letters. 739: 136994. DOI: 10.1016/J.Cplett.2019.136994 |
0.634 |
|
| 2020 |
Gribanova TN, Minyaev RM, Minkin VI, Boldyrev AI. Novel architectures of boron Structural Chemistry. 1-24. DOI: 10.1007/S11224-020-01606-9 |
0.344 |
|
| 2019 |
Boldyrev AI, Kulichenko M, Fedik N, Muñoz-Castro A. Expansion of aromaticity magnetic criteria on multi-layer structures. Magnetic response and spherical aromaticity of Matryoshka-like [Sn@Cu12@Sn20]12- cluster. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31867789 DOI: 10.1002/Chem.201905088 |
0.405 |
|
| 2019 |
Tkachenko NV, Zhang XW, Qiao L, Shu CC, Steglenko D, Muñoz-Castro A, Sun ZM, Boldyrev AI. Spherical aromaticity of all-metal [Bi@In8Bi12]3-/5- clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31851761 DOI: 10.1002/Chem.201905264 |
0.409 |
|
| 2019 |
Minkin VI, Starikov AG, Starikova AA, Gapurenko OA, Minyaev RM, Boldyrev AI. Electronic structure and magnetic properties of the triangular nanographenes with radical substituents: a DFT study. Physical Chemistry Chemical Physics : Pccp. PMID 31850434 DOI: 10.1039/C9Cp05922A |
0.341 |
|
| 2019 |
Fedik N, Boldyrev AI, Muñoz-Castro A. Aromatic character of [Au] and [MAu] (M = Pd, Pt) cores in ligand protected gold nanoclusters - interplay between spherical and planar σ-aromatics. Physical Chemistry Chemical Physics : Pccp. 21: 25215-25219. PMID 31696890 DOI: 10.1039/C9Cp04477A |
0.315 |
|
| 2019 |
Tkachenko NV, Steglenko D, Fedik N, Boldyreva NM, Minyaev RM, Minkin VI, Boldyrev AI. Superoctahedral two-dimensional metallic boron with peculiar magnetic properties. Physical Chemistry Chemical Physics : Pccp. 21: 19764-19771. PMID 31475283 DOI: 10.1039/C9Cp03786A |
0.371 |
|
| 2019 |
Liu G, Fedik N, Martinez-Martinez C, Ciborowski S, Boldyrev A, Bowen KH. Realization of Lewis Basic Na Anion in the NaBH3- Cluster. Angewandte Chemie (International Ed. in English). PMID 31313422 DOI: 10.1002/Anie.201907089 |
0.469 |
|
| 2019 |
Tkachenko NV, Boldyrev AI. Multiple local σ-aromaticity of nonagermanide clusters. Chemical Science. 10: 5761-5765. PMID 31293762 DOI: 10.1039/C9Sc00929A |
0.421 |
|
| 2019 |
Tkachenko NV, Sun ZM, Boldyrev AI. Record Low Ionization Potentials of Alkali Metal Complexes with Crown Ethers and Cryptands. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31184431 DOI: 10.1002/Cphc.201900422 |
0.344 |
|
| 2019 |
Jian T, Chen X, Li SD, Boldyrev AI, Li J, Wang LS. Probing the structures and bonding of size-selected boron and doped-boron clusters. Chemical Society Reviews. PMID 31120469 DOI: 10.1039/C9Cs00233B |
0.467 |
|
| 2019 |
Czekner J, Cheung LF, Kocheril GS, Kulichenko M, Boldyrev AI, Wang LS. High-Resolution Photoelectron Imaging of IrB3‾: Observation of a π-Aromatic B3+ Ring Coordinated to a Transition Metal. Angewandte Chemie (International Ed. in English). PMID 31021049 DOI: 10.1002/Anie.201902406 |
0.467 |
|
| 2019 |
Tkachenko NV, Boldyrev AI. Chemical bonding analysis of excited states using the adaptive natural density partitioning method. Physical Chemistry Chemical Physics : Pccp. 21: 9590-9596. PMID 31020963 DOI: 10.1039/C9Cp00379G |
0.367 |
|
| 2019 |
Liu C, Tkachenko NV, Popov IA, Fedik N, Min X, Xu CQ, Li J, McGrady JE, Boldyrev AI, Sun ZM. Structure and Bonding in [Sb@In8Sb12]3- and [Sb@In8Sb12]5. Angewandte Chemie (International Ed. in English). PMID 31013397 DOI: 10.1002/Anie.201904109 |
0.421 |
|
| 2019 |
Kulichenko M, Fedik NS, Bozhenko KV, Boldyrev AI. Hydrated Sulfate Clusters SO(HO)(n=1-40): Charge Distribution Through Solvation Shells and Stabilization. The Journal of Physical Chemistry. B. PMID 30994350 DOI: 10.1021/Acs.Jpcb.9B01744 |
0.346 |
|
| 2019 |
Getmanskii IV, Koval VV, Boldyrev AI, Minyaev RM, Minkin VI. Molecular dynamics study of a new metastable allotropic crystalline form of gallium-supertetrahedral gallium. Journal of Computational Chemistry. PMID 30957253 DOI: 10.1002/Jcc.25837 |
0.334 |
|
| 2019 |
Kulichenko M, Fedik N, Bozhenko KV, Boldyrev AI. New Inorganic Molecular Electride Mg₄O₃: Structure, Bonding and Nonlinear Optical Properties. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30710494 DOI: 10.1002/Chem.201806372 |
0.415 |
|
| 2019 |
Fedik N, Kulichenko M, Boldyrev AI. Two names of stability: Spherical aromatic or superatomic intermetalloid cluster [Pd3Sn8Bi6]4− Chemical Physics. 522: 134-137. DOI: 10.1016/J.Chemphys.2019.02.015 |
0.417 |
|
| 2019 |
Gapurenko OA, Minyaev RM, Fedik NS, Koval VV, Boldyrev AI, Minkin VI. Structure and bonding of new boron and carbon superpolyhedra Structural Chemistry. 30: 805-814. DOI: 10.1007/S11224-019-1279-5 |
0.374 |
|
| 2019 |
Liu C, Tkachenko NV, Popov IA, Fedik N, Min X, Xu C, Li J, McGrady JE, Boldyrev AI, Sun Z. Inside Cover: Structure and Bonding in [Sb@In
8
Sb
12
]
3−
and [Sb@In
8
Sb
12
]
5−
(Angew. Chem. Int. Ed. 25/2019) Angewandte Chemie International Edition. 58: 8244-8244. DOI: 10.1002/Anie.201905963 |
0.308 |
|
| 2019 |
Liu C, Tkachenko NV, Popov IA, Fedik N, Min X, Xu C, Li J, McGrady JE, Boldyrev AI, Sun Z. Innentitelbild: Structure and Bonding in [Sb@In8Sb12]3− and [Sb@In8Sb12]5− (Angew. Chem. 25/2019) Angewandte Chemie. 131: 8330-8330. DOI: 10.1002/Ange.201905963 |
0.314 |
|
| 2018 |
Getmanskii IV, Koval VV, Boldyrev AI, Minyaev RM, Minkin VI. Computationally Designed Crystal Structures of the Supertetrahedral AlX (X=B, C, Al, Si) Solids. The Journal of Physical Chemistry. A. PMID 30550281 DOI: 10.1021/Acs.Jpca.8B10248 |
0.39 |
|
| 2018 |
Steglenko DV, Minyaev RM, Minkin VI, Boldyrev AI. Difluorophosphorane - Flattened Phosphorene through Difluorination. The Journal of Physical Chemistry Letters. PMID 30481468 DOI: 10.1021/Acs.Jpclett.8B02918 |
0.318 |
|
| 2018 |
Gribanova TN, Minyaev RM, Minkin VI, Boldyrev AI. Metalcarbonyl analogues of annelated cyclooctatetraene and cyclodecapentaene derivatives with a planar core cycle: a quantum chemical study. Physical Chemistry Chemical Physics : Pccp. PMID 30387486 DOI: 10.1039/C8Cp05444D |
0.308 |
|
| 2018 |
Minkin VI, Starikov AG, Starikova AA, Minyaev RM, Boldyrev AI. The structurally variable network of spin couplings and migrating paramagnetic centers in binuclear o-quinone Co complexes with biradical acene linkers: a computational DFT study. Dalton Transactions (Cambridge, England : 2003). PMID 30378605 DOI: 10.1039/C8Dt02925C |
0.323 |
|
| 2018 |
Fedik N, Boldyrev AI. Insight into the Nature of Rim Bonds in Coronene. The Journal of Physical Chemistry. A. PMID 30296096 DOI: 10.1021/Acs.Jpca.8B07937 |
0.396 |
|
| 2018 |
Zhang X, Popov IA, Lundel K, Wang H, Mu C, Wang W, Schnöckel H, Boldyrev AI, Bowen KH. Realization of an Al≡Al Triple Bond in the Gas-Phase Na3Al2- Cluster via Double Electronic Transmutation. Angewandte Chemie (International Ed. in English). PMID 30129083 DOI: 10.1002/Ange.201806917 |
0.435 |
|
| 2018 |
Sun ZM, Liu C, Popov IA, Boldyrev A, Chen Z. Aromaticity and Antiaromaticity in Zintl Clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29774973 DOI: 10.1002/Chem.201801715 |
0.409 |
|
| 2018 |
Zhang X, Lundell K, Olson J, Boldyrev A, Bowen KH. Electronic Transmutation (ET): Chemically Turning One Element into Another. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29518278 DOI: 10.1002/Chem.201800517 |
0.576 |
|
| 2018 |
Popov IA, Jimenez-Izal E, Alexandrova AN, Boldyrev AI. Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO The Journal of Physical Chemistry C. 122: 11933-11937. DOI: 10.1021/Acs.Jpcc.8B03118 |
0.6 |
|
| 2018 |
Lundell KA, Boldyrev AI. Tug-of-war between classical and multicenter bonds in H-(Be)n-H species Chemical Physics Letters. 699: 85-87. DOI: 10.1016/J.Cplett.2018.03.044 |
0.374 |
|
| 2018 |
Liu C, Li L, Popov IA, Wilson RJ, Xu C, Li J, Boldyrev AI, Sun Z. Symmetry Reduction upon Size Mismatch: The Non-Icosahedral Intermetalloid Cluster [Co@Ge12
]3− Chinese Journal of Chemistry. 36: 1165-1168. DOI: 10.1002/Cjoc.201800434 |
0.316 |
|
| 2018 |
Liu C, Popov IA, Chen Z, Boldyrev AI, Sun Z. Frontispiece: Aromaticity and Antiaromaticity in Zintl Clusters Chemistry - a European Journal. 24. DOI: 10.1002/Chem.201885562 |
0.35 |
|
| 2018 |
Zhang X, Lundell KA, Olson JK, Bowen KH, Boldyrev AI. Frontispiece: Electronic Transmutation (ET): Chemically Turning One Element into Another Chemistry - a European Journal. 24. DOI: 10.1002/Chem.201883763 |
0.562 |
|
| 2018 |
Popov IA, Starikova AA, Steglenko DV, Boldyrev AI. Frontispiece: Usefulness of the σ-Aromaticity and σ-Antiaromaticity Concepts for Clusters and Solid-State Compounds Chemistry - a European Journal. 24. DOI: 10.1002/Chem.201880262 |
0.343 |
|
| 2017 |
Lundell KA, Zhang X, Boldyrev AI, Bowen KH. On the Existence of Designer Al=Al Double Bond in the LiAl2H4- Cluster via Electronic Transmutation. Angewandte Chemie (International Ed. in English). PMID 29098758 DOI: 10.1002/Anie.201710338 |
0.408 |
|
| 2017 |
Sun ZM, Liu C, Popov IA, Boldyrev AI, Li LJ, Li N. [Co2@Ge16]4-: Localized vs. Delocalized Bonding in Two Isomeric Intermetalloid Clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29071743 DOI: 10.1002/Chem.201704444 |
0.432 |
|
| 2017 |
Muñoz-Castro A, Popov IA, Boldyrev AI. Long-range magnetic response of toroidal boron structures: B16 and [Co@B16](-/3-) species. Physical Chemistry Chemical Physics : Pccp. PMID 28930312 DOI: 10.1039/C7Cp04158F |
0.389 |
|
| 2017 |
Boldyrev AI, Popov IA, Starikova AA, Steglenko DV. Usefulness of the σ-Aromaticity and σ-Antiaromaticity Concepts for Clusters and Solid-State Compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28593736 DOI: 10.1002/Chem.201702035 |
0.429 |
|
| 2017 |
Dong X, Oganov AR, Goncharov AF, Stavrou E, Lobanov S, Saleh G, Qian GR, Zhu Q, Gatti C, Deringer VL, Dronskowski R, Zhou XF, Prakapenka VB, Konôpková Z, Popov IA, ... Boldyrev AI, et al. A stable compound of helium and sodium at high pressure. Nature Chemistry. 9: 440-445. PMID 28430195 DOI: 10.1038/Nchem.2716 |
0.366 |
|
| 2017 |
Martinez-Canales M, Galeev TR, Boldyrev AI, Pickard CJ. Dirac cones in two-dimensional borane Physical Review B. 96. DOI: 10.1103/Physrevb.96.195442 |
0.719 |
|
| 2017 |
Getmanskii IV, Koval VV, Minyaev RM, Boldyrev AI, Minkin VI. Supertetrahedral Aluminum – A New Allotropic Ultralight Crystalline Form of Aluminum The Journal of Physical Chemistry C. 121: 22187-22190. DOI: 10.1021/Acs.Jpcc.7B07565 |
0.341 |
|
| 2017 |
Luo X, Jian T, Cheng L, Li W, Chen Q, Li R, Zhai H, Li S, Boldyrev AI, Li J, Wang L. B26−: The smallest planar boron cluster with a hexagonal vacancy and a complicated potential landscape Chemical Physics Letters. 683: 336-341. DOI: 10.1016/J.Cplett.2016.12.051 |
0.461 |
|
| 2016 |
Popov IA, Pan FX, You XR, Li LJ, Matito E, Liu C, Zhai HJ, Sun ZM, Boldyrev AI. Peculiar All-Metal σ-Aromaticity of the [Au2 Sb16 ](4-) Anion in the Solid State. Angewandte Chemie (International Ed. in English). PMID 27862764 DOI: 10.1002/Anie.201609497 |
0.414 |
|
| 2016 |
Jian T, Li WL, Popov IA, Lopez GV, Chen X, Boldyrev AI, Li J, Wang LS. Manganese-centered tubular boron cluster - MnB16 (-): A new class of transition-metal molecules. The Journal of Chemical Physics. 144: 154310. PMID 27389223 DOI: 10.1063/1.4946796 |
0.472 |
|
| 2016 |
Min X, Popov IA, Pan FX, Li LJ, Matito E, Sun ZM, Wang LS, Boldyrev AI. All-Metal Antiaromaticity in Sb4 -Type Lanthanocene Anions. Angewandte Chemie (International Ed. in English). PMID 27062366 DOI: 10.1002/Anie.201600706 |
0.39 |
|
| 2016 |
Boldyrev AI, Wang LS. Beyond organic chemistry: aromaticity in atomic clusters. Physical Chemistry Chemical Physics : Pccp. PMID 26864511 DOI: 10.1039/C5Cp07465G |
0.461 |
|
| 2016 |
Ivanov AS, Kar T, Boldyrev AI. Nanoscale stabilization of zintl compounds: 1D ionic Li-P double helix confined inside a carbon nanotube. Nanoscale. PMID 26796784 DOI: 10.1039/C5Nr07713C |
0.316 |
|
| 2016 |
Zhou XF, Oganov AR, Wang Z, Popov IA, Boldyrev AI, Wang HT. Two-dimensional magnetic boron Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.085406 |
0.366 |
|
| 2016 |
Jian T, Li WL, Popov IA, Lopez GV, Chen X, Boldyrev AI, Li J, Wang LS. Manganese-centered tubular boron cluster - MnB16 -: A new class of transition-metal molecules Journal of Chemical Physics. 144. DOI: 10.1063/1.4946796 |
0.367 |
|
| 2015 |
Yu X, Oganov AR, Popov IA, Qian G, Boldyrev AI. Antiferromagnetic Stabilization in the Ti8 O12 Cluster. Angewandte Chemie (International Ed. in English). PMID 26668109 DOI: 10.1002/Anie.201508439 |
0.418 |
|
| 2015 |
Ivanov AS, Zhang X, Wang H, Boldyrev AI, Gantefoer GF, Bowen KH, Cernusak I. Anion Photoelectron Spectroscopy and CASSCF/CASPT2/RASSI Study of Lan(-) (n=1, 3-7). The Journal of Physical Chemistry. A. PMID 26503562 DOI: 10.1021/Acs.Jpca.5B08076 |
0.46 |
|
| 2015 |
Popov IA, Jian T, Lopez GV, Boldyrev AI, Wang LS. Cobalt-centred boron molecular drums with the highest coordination number in the CoB16(-) cluster. Nature Communications. 6: 8654. PMID 26456760 DOI: 10.1038/Ncomms9654 |
0.493 |
|
| 2015 |
Yang LM, Popov IA, Frauenheim T, Boldyrev AI, Heine T, Bačić V, Ganz E. Revealing unusual chemical bonding in planar hyper-coordinate Ni2Ge and quasi-planar Ni2Si two-dimensional crystals. Physical Chemistry Chemical Physics : Pccp. 17: 26043-8. PMID 26377165 DOI: 10.1039/C5Cp04893A |
0.377 |
|
| 2015 |
Popov IA, Zhang X, Eichhorn BW, Boldyrev AI, Bowen KH. Aluminum chain in Li2Al3H8(-) as suggested by photoelectron spectroscopy and ab initio calculations. Physical Chemistry Chemical Physics : Pccp. 17: 26079-83. PMID 26358650 DOI: 10.1039/C5Cp04148A |
0.468 |
|
| 2015 |
Yu X, Oganov AR, Popov IA, Boldyrev AI. d-AO spherical aromaticity in Ce6 O8. Journal of Computational Chemistry. PMID 26284694 DOI: 10.1002/Jcc.24049 |
0.422 |
|
| 2015 |
Dolyniuk JA, He H, Ivanov AS, Boldyrev AI, Bobev S, Kovnir K. Ba and Sr Binary Phosphides: Synthesis, Crystal Structures, and Bonding Analysis. Inorganic Chemistry. 54: 8608-16. PMID 26270202 DOI: 10.1021/Acs.Inorgchem.5B01253 |
0.341 |
|
| 2015 |
Yang LM, Popov IA, Boldyrev AI, Heine T, Frauenheim T, Ganz E. Post-anti-van't Hoff-Le Bel motif in atomically thin germanium-copper alloy film. Physical Chemistry Chemical Physics : Pccp. PMID 26074127 DOI: 10.1039/C5Cp02827B |
0.315 |
|
| 2015 |
Mercero JM, Boldyrev AI, Merino G, Ugalde JM. Recent developments and future prospects of all-metal aromatic compounds. Chemical Society Reviews. 44: 6519-34. PMID 26058731 DOI: 10.1039/C5Cs00341E |
0.348 |
|
| 2015 |
Gish JT, Popov IA, Boldyrev AI. Homocatenation of aluminum: alkane-like structures of Li2Al2H6 and Li3Al3H8. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 5307-10. PMID 25704853 DOI: 10.1002/Chem.201500298 |
0.374 |
|
| 2015 |
Yang LM, Ba?i? V, Popov IA, Boldyrev AI, Heine T, Frauenheim T, Ganz E. Two-dimensional Cu2Si monolayer with planar hexacoordinate copper and silicon bonding. Journal of the American Chemical Society. 137: 2757-62. PMID 25643071 DOI: 10.1021/Ja513209C |
0.386 |
|
| 2015 |
Popov IA, Averkiev BB, Starikova AA, Boldyrev AI, Minyaev RM, Minkin VI. Assessing the viability of extended nonmetal atom chains in M(n)F(4n+2) (M=S and Se). Angewandte Chemie (International Ed. in English). 54: 1476-80. PMID 25475055 DOI: 10.1002/Anie.201409418 |
0.378 |
|
| 2015 |
Ivanov AS, Miller E, Boldyrev AI, Kameoka Y, Sato T, Tanaka K. Pseudo jahn-teller origin of buckling distortions in two-dimensional triazine-based graphitic carbon nitride (g-C3N4) sheets Journal of Physical Chemistry C. 119: 12008-12015. DOI: 10.1021/Acs.Jpcc.5B02299 |
0.311 |
|
| 2015 |
Minyaev RM, Popov IA, Koval VV, Boldyrev AI, Minkin VI. Supertetrahedral B80H20, C80H20, and Al80H20 analogs of dodecahedrane and their substituted molecules Structural Chemistry. 26: 223-229. DOI: 10.1007/S11224-014-0540-1 |
0.343 |
|
| 2015 |
Nizovtsev AS, Ivanov AS, Boldyrev AI, Konchenko SN. Li4E8 (E = P, As, Sb, Bi) clusters: The quest for realgar-type [E8]4- zintl anions European Journal of Inorganic Chemistry. 2015: 5801-5807. DOI: 10.1002/Ejic.201500931 |
0.34 |
|
| 2014 |
Piazza ZA, Popov IA, Li WL, Pal R, Zeng XC, Boldyrev AI, Wang LS. A photoelectron spectroscopy and ab initio study of the structures and chemical bonding of the B25(-) cluster. The Journal of Chemical Physics. 141: 034303. PMID 25053316 DOI: 10.1063/1.4879551 |
0.478 |
|
| 2014 |
Ivanov AS, Popov IA, Boldyrev AI, Zhdankin VV. The I=X (X=O,N,C) double bond in hypervalent iodine compounds: is it real? Angewandte Chemie (International Ed. in English). 53: 9617-21. PMID 25045143 DOI: 10.1002/Anie.201405142 |
0.372 |
|
| 2014 |
Ivanov AS, Boldyrev AI. Deciphering aromaticity in porphyrinoids via adaptive natural density partitioning Organic and Biomolecular Chemistry. 12: 6145-6150. PMID 25002069 DOI: 10.1039/C4Ob01018C |
0.384 |
|
| 2014 |
Olson JK, Ivanov AS, Boldyrev AI. All-nitrogen analogue of ozone: Li₃N₃ species. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 6636-40. PMID 24753295 DOI: 10.1002/Chem.201402572 |
0.617 |
|
| 2014 |
Sergeeva AP, Popov IA, Piazza ZA, Li WL, Romanescu C, Wang LS, Boldyrev AI. Understanding boron through size-selected clusters: Structure, chemical bonding, and fluxionality Accounts of Chemical Research. 47: 1349-1358. PMID 24661097 DOI: 10.1021/Ar400310G |
0.747 |
|
| 2014 |
Ivanov AS, Boldyrev AI, Frenking G. Inorganic double-helix nanotoroid of simple lithium-phosphorus species. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 2431-5. PMID 24488764 DOI: 10.1002/Chem.201304566 |
0.367 |
|
| 2014 |
Ivanov AS, Frenking G, Boldyrev AI. Stabilization of a Cl(-)-Cl(-) anion pair in the gas phase: ab initio microsolvation study. The Journal of Physical Chemistry. A. 118: 7375-84. PMID 24471443 DOI: 10.1021/Jp4123997 |
0.36 |
|
| 2014 |
Popov IA, Li WL, Piazza ZA, Boldyrev AI, Wang LS. Complexes between planar boron clusters and transition metals: a photoelectron spectroscopy and ab initio study of CoB12(-) and RhB12(-). The Journal of Physical Chemistry. A. 118: 8098-105. PMID 24428747 DOI: 10.1021/Jp411867Q |
0.485 |
|
| 2014 |
Olson JK, Ivanov AS, Boldyrev AI. ChemInform Abstract: All-Nitrogen Analogue of Ozone: Li3N3Species. Cheminform. 45: no-no. DOI: 10.1002/chin.201430001 |
0.471 |
|
| 2013 |
Popov IA, Piazza ZA, Li WL, Wang LS, Boldyrev AI. A combined photoelectron spectroscopy and ab initio study of the quasi-planar B24(-) cluster. The Journal of Chemical Physics. 139: 144307. PMID 24116619 DOI: 10.1063/1.4824156 |
0.495 |
|
| 2013 |
Popov IA, Popov VF, Bozhenko KV, Černušák I, Boldyrev AI. Structural changes in the series of boron-carbon mixed clusters C(x)B(10-x)- (x = 3-10) upon substitution of boron by carbon. The Journal of Chemical Physics. 139: 114307. PMID 24070290 DOI: 10.1063/1.4820878 |
0.464 |
|
| 2013 |
Li WL, Ivanov AS, Federič J, Romanescu C, Černušák I, Boldyrev AI, Wang LS. On the way to the highest coordination number in the planar metal-centred aromatic Ta©B10- cluster: evolution of the structures of TaB(n)- (n = 3-8). The Journal of Chemical Physics. 139: 104312. PMID 24050349 DOI: 10.1063/1.4820401 |
0.46 |
|
| 2013 |
Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Geometric and electronic factors in the rational design of transition-metal-centered boron molecular wheels. The Journal of Chemical Physics. 138: 134315. PMID 23574235 DOI: 10.1063/1.4798935 |
0.755 |
|
| 2013 |
Popov IA, Li Y, Chen Z, Boldyrev AI. "Benzation" of graphene upon addition of monovalent chemical species. Physical Chemistry Chemical Physics : Pccp. 15: 6842-8. PMID 23546388 DOI: 10.1039/C3Cp43921F |
0.306 |
|
| 2013 |
Galeev TR, Dunnington BD, Schmidt JR, Boldyrev AI. Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems. Physical Chemistry Chemical Physics : Pccp. 15: 5022-9. PMID 23443061 DOI: 10.1039/C3Cp50350J |
0.717 |
|
| 2013 |
Olson JK, Boldyrev AI. Planar to 3D transition in the B6H(y) anions. The Journal of Physical Chemistry. A. 117: 1614-20. PMID 23331020 DOI: 10.1021/Jp310162V |
0.672 |
|
| 2013 |
Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Transition-metal-centered monocyclic boron wheel clusters (M©Bn): a new class of aromatic borometallic compounds. Accounts of Chemical Research. 46: 350-8. PMID 23210660 DOI: 10.1021/Ar300149A |
0.775 |
|
| 2013 |
Popov IA, Piazza ZA, Li WL, Wang LS, Boldyrev AI. A combined photoelectron spectroscopy and ab initio study of the quasi-planar B24 - cluster Journal of Chemical Physics. 139. DOI: 10.1063/1.4824156 |
0.312 |
|
| 2013 |
Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Geometric and electronic factors in the rational design of transition-metal-centered boron molecular wheels Journal of Chemical Physics. 138. DOI: 10.1063/1.4798935 |
0.669 |
|
| 2013 |
Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Transition-metal-centered monocyclic boron wheel clusters (M©B n): A new class of aromatic borometallic compounds Accounts of Chemical Research. 46: 350-358. DOI: 10.1021/ar300149a |
0.685 |
|
| 2013 |
Popov IA, Boldyrev AI. Computational probing of all-boron Li2nB2nH2n+2 polyenes Computational and Theoretical Chemistry. 1004: 5-11. DOI: 10.1016/J.Comptc.2012.10.018 |
0.358 |
|
| 2013 |
Galeev TR, Boldyrev AI. Aromaticity and Antiaromaticity in Inorganic Chemistry Comprehensive Inorganic Chemistry Ii (Second Edition): From Elements to Applications. 9: 245-275. DOI: 10.1016/B978-0-08-097774-4.00909-8 |
0.659 |
|
| 2012 |
Ivanov AS, Bozhenko KV, Boldyrev AI. Peculiar Transformations in the CxHxP4-x (x = 0-4) Series. Journal of Chemical Theory and Computation. 8: 135-40. PMID 26592876 DOI: 10.1021/Ct200727Z |
0.366 |
|
| 2012 |
Galeev TR, Li WL, Romanescu C, Cernusák I, Wang LS, Boldyrev AI. Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9- and C2B8-. The Journal of Chemical Physics. 137: 234306. PMID 23267485 DOI: 10.1063/1.4770231 |
0.762 |
|
| 2012 |
Ivanov AS, Boldyrev AI. Reliable predictions of unusual molecules. Physical Chemistry Chemical Physics : Pccp. 14: 15943-52. PMID 23103915 DOI: 10.1039/C2Cp42877F |
0.366 |
|
| 2012 |
Sergeeva AP, Piazza ZA, Romanescu C, Li WL, Boldyrev AI, Wang LS. B 22 - and B 23 -: All-boron analogues of anthracene and phenanthrene Journal of the American Chemical Society. 134: 18065-18073. PMID 23030415 DOI: 10.1021/Ja307605T |
0.745 |
|
| 2012 |
Ivanov AS, Boldyrev AI. Si6-nCnH6 (n = 0-6) series: When do silabenzenes become planar and global minima? Journal of Physical Chemistry A. 116: 9591-9598. PMID 22946702 DOI: 10.1021/Jp307722Q |
0.302 |
|
| 2012 |
Ivanov AS, Bozhenko KV, Boldyrev AI. On the suppression mechanism of the pseudo-Jahn-Teller effect in middle E6 (E = P, As, Sb) rings of triple-decker sandwich complexes. Inorganic Chemistry. 51: 8868-72. PMID 22845625 DOI: 10.1021/Ic300786W |
0.35 |
|
| 2012 |
Osorio E, Olson JK, Tiznado W, Boldyrev AI. Analysis of why boron avoids sp2 hybridization and classical structures in the BnHn+2 series. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 9677-81. PMID 22745112 DOI: 10.1002/Chem.201200506 |
0.66 |
|
| 2012 |
Piazza ZA, Li WL, Romanescu C, Sergeeva AP, Wang LS, Boldyrev AI. A photoelectron spectroscopy and ab initio study of B21-: negatively charged boron clusters continue to be planar at 21. The Journal of Chemical Physics. 136: 104310. PMID 22423841 DOI: 10.1063/1.3692967 |
0.762 |
|
| 2012 |
Galeev TR, Romanescu C, Li WL, Wang LS, Boldyrev AI. Observation of the highest coordination number in planar species: decacoordinated Ta©B10(-) and Nb©B10(-) anions. Angewandte Chemie (International Ed. in English). 51: 2101-5. PMID 22298320 DOI: 10.1002/Anie.201107880 |
0.67 |
|
| 2012 |
Li WL, Romanescu C, Galeev TR, Piazza ZA, Boldyrev AI, Wang LS. Transition-metal-centered nine-membered boron rings: MⓒB9 and MⓒB9(-) (M = Rh, Ir). Journal of the American Chemical Society. 134: 165-8. PMID 22148745 DOI: 10.1021/Ja209808K |
0.757 |
|
| 2012 |
Galeev TR, Li WL, Romanescu C, ?ernušák I, Wang LS, Boldyrev AI. Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9 - and C2B8 - Journal of Chemical Physics. 137. DOI: 10.1063/1.4770231 |
0.694 |
|
| 2012 |
Piazza ZA, Li WL, Romanescu C, Sergeeva AP, Wang LS, Boldyrev AI. A photoelectron spectroscopy and ab initio study of B 21 -: Negatively charged boron clusters continue to be planar at 21 Journal of Chemical Physics. 136. DOI: 10.1063/1.3692967 |
0.687 |
|
| 2012 |
Popov IA, Boldyrev AI. Deciphering chemical bonding in a BC 3 honeycomb epitaxial sheet Journal of Physical Chemistry C. 116: 3147-3152. DOI: 10.1021/Jp210956W |
0.402 |
|
| 2012 |
Li WL, Romanescu C, Galeev TR, Piazza ZA, Boldyrev AI, Wang LS. Transition-metal-centered nine-membered boron rings: M©B 9 and M©B 9 - (M = Rh, Ir) Journal of the American Chemical Society. 134: 165-168. DOI: 10.1021/ja209808k |
0.656 |
|
| 2012 |
Romanescu C, Galeev TR, Sergeeva AP, Li WL, Wang LS, Boldyrev AI. Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8 - and Fe©B9 - Journal of Organometallic Chemistry. 721: 148-154. DOI: 10.1016/J.Jorganchem.2012.07.050 |
0.82 |
|
| 2012 |
Olson JK, Boldyrev AI. Electronic transmutation: Boron acquiring an extra electron becomes 'carbon' Chemical Physics Letters. 523: 83-86. DOI: 10.1016/J.Cplett.2011.11.079 |
0.626 |
|
| 2012 |
Popov IA, Bozhenko KV, Boldyrev AI. Is graphene aromatic? Nano Research. 5: 117-123. DOI: 10.1007/S12274-011-0192-Z |
0.305 |
|
| 2012 |
Popov IA, Boldyrev AI. Chemical bonding in coronene, isocoronene, and circumcoronene European Journal of Organic Chemistry. 3485-3491. DOI: 10.1002/Ejoc.201200256 |
0.375 |
|
| 2012 |
Li W, Romanescu C, Galeev TR, Piazza ZA, Boldyrev AI, Wang L. ChemInform Abstract: Transition-Metal-Centered Nine-Membered Boron Rings: M@B9and M@B-9(M: Rh, Ir). Cheminform. 43: no-no. DOI: 10.1002/chin.201218002 |
0.649 |
|
| 2012 |
Osorio E, Olson JK, Tiznado W, Boldyrev AI. Analysis of why boron avoids sp 2 hybridization and classical structures in the B nH n+2 series Chemistry - a European Journal. 18: 9677-9681. DOI: 10.1002/chem.201200506 |
0.525 |
|
| 2012 |
Galeev TR, Romanescu C, Li WL, Wang LS, Boldyrev AI. Observation of the highest coordination number in planar species: Decacoordinated Ta©B 10 - and Nb©B 10 - anions Angewandte Chemie - International Edition. 51: 2101-2105. DOI: 10.1002/anie.201107880 |
0.645 |
|
| 2011 |
Galeev TR, Romanescu C, Li WL, Wang LS, Boldyrev AI. Valence isoelectronic substitution in the B8(-) and B9(-) molecular wheels by an Al dopant atom: umbrella-like structures of AlB7(-) and AlB8(-). The Journal of Chemical Physics. 135: 104301. PMID 21932887 DOI: 10.1063/1.3625959 |
0.756 |
|
| 2011 |
Perez-Peralta N, Boldyrev AI. Ab initio study of lithiathion of the Si4(-) cluster. The Journal of Physical Chemistry. A. 115: 11551-8. PMID 21923151 DOI: 10.1021/Jp2074754 |
0.357 |
|
| 2011 |
Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Aromatic metal-centered monocyclic boron rings: Co©B8- and Ru©B9-. Angewandte Chemie (International Ed. in English). 50: 9334-7. PMID 21882323 DOI: 10.1002/Anie.201104166 |
0.684 |
|
| 2011 |
Galeev TR, Boldyrev AI. Planarity takes over in the C(x)H(x)P(6-x) (x = 0-6) series at x = 4. Physical Chemistry Chemical Physics : Pccp. 13: 20549-56. PMID 21869975 DOI: 10.1039/C1Cp21959F |
0.678 |
|
| 2011 |
Li WL, Romanescu C, Galeev TR, Wang LS, Boldyrev AI. Aluminum avoids the central position in AlB9- and AlB10-: photoelectron spectroscopy and ab initio study. The Journal of Physical Chemistry. A. 115: 10391-7. PMID 21800920 DOI: 10.1021/Jp205873G |
0.762 |
|
| 2011 |
Sergeeva AP, Averkiev BB, Zhai HJ, Boldyrev AI, Wang LS. All-boron analogues of aromatic hydrocarbons: B17- and B18-. The Journal of Chemical Physics. 134: 224304. PMID 21682511 DOI: 10.1063/1.3599452 |
0.717 |
|
| 2011 |
Galeev TR, Chen Q, Guo JC, Bai H, Miao CQ, Lu HG, Sergeeva AP, Li SD, Boldyrev AI. Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet. Physical Chemistry Chemical Physics : Pccp. 13: 11575-8. PMID 21603683 DOI: 10.1039/C1Cp20439D |
0.79 |
|
| 2011 |
Romanescu C, Sergeeva AP, Li WL, Boldyrev AI, Wang LS. Planarization of B7- and B12- clusters by isoelectronic substitution: AlB6- and AlB11-. Journal of the American Chemical Society. 133: 8646-53. PMID 21520972 DOI: 10.1021/Ja2012438 |
0.737 |
|
| 2011 |
Galeev TR, Ivanov AS, Romanescu C, Li WL, Bozhenko KV, Wang LS, Boldyrev AI. Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6⁻ and C3B5⁻. Physical Chemistry Chemical Physics : Pccp. 13: 8805-10. PMID 21487619 DOI: 10.1039/C1Cp20359B |
0.716 |
|
| 2011 |
Martínez-Guajardo G, Sergeeva AP, Boldyrev AI, Heine T, Ugalde JM, Merino G. Unravelling phenomenon of internal rotation in B13+ through chemical bonding analysis. Chemical Communications (Cambridge, England). 47: 6242-4. PMID 21461423 DOI: 10.1039/C1Cc10821B |
0.704 |
|
| 2011 |
Alexandrova AN, Boldyrev AI, Li X, Sarkas HW, Hendricks JH, Arnold ST, Bowen KH. Lithium cluster anions: photoelectron spectroscopy and ab initio calculations. The Journal of Chemical Physics. 134: 044322. PMID 21280740 DOI: 10.1063/1.3532832 |
0.621 |
|
| 2011 |
Pokhodnya K, Olson C, Dai X, Schulz DL, Boudjouk P, Sergeeva AP, Boldyrev AI. Flattening a puckered cyclohexasilane ring by suppression of the pseudo-Jahn-Teller effect. The Journal of Chemical Physics. 134: 014105. PMID 21218995 DOI: 10.1063/1.3516179 |
0.672 |
|
| 2011 |
Weck PF, Sergeeva AP, Kim E, Boldyrev AI, Czerwinski KR. Chemical bonding and aromaticity in trinuclear transition-metal halide clusters. Inorganic Chemistry. 50: 1039-46. PMID 21190332 DOI: 10.1021/Ic101779W |
0.723 |
|
| 2011 |
Galeev TR, Romanescu C, Li WL, Wang LS, Boldyrev AI. Valence isoelectronic substitution in the B8 - and B9 - molecular wheels by an Al dopant atom: Umbrella-like structures of AlB7 - and AlB8 - Journal of Chemical Physics. 135. DOI: 10.1063/1.3625959 |
0.693 |
|
| 2011 |
Galeev TR, Boldyrev AI. Recent advances in aromaticity and antiaromaticity in transition-metal systems Annual Reports On the Progress of Chemistry - Section C. 107: 124-147. DOI: 10.1039/c1pc90004h |
0.645 |
|
| 2011 |
Galeev TR, Boldyrev AI. Planarity takes over in the CxHxP6-x (x = 0-6) series at x = 4 Physical Chemistry Chemical Physics. 13: 20549-20556. DOI: 10.1039/c1cp21959f |
0.616 |
|
| 2011 |
Galeev TR, Chen Q, Guo JC, Bai H, Miao CQ, Lu HG, Sergeeva AP, Li SD, Boldyrev AI. Deciphering the mystery of hexagon holes in an all-boron grapheme α-sheet Physical Chemistry Chemical Physics. 13: 11575-11578. DOI: 10.1039/c1cp20439d |
0.739 |
|
| 2011 |
Galeev TR, Ivanov AS, Romanescu C, Li WL, Bozhenko KV, Wang LS, Boldyrev AI. Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6 ̄ and C3B 5 ̄ Physical Chemistry Chemical Physics. 13: 8805-8810. DOI: 10.1039/c1cp20359b |
0.685 |
|
| 2011 |
Li WL, Romanescu C, Galeev TR, Wang LS, Boldyrev AI. Aluminum avoids the central position in AlB9 - and AlB10 -: Photoelectron spectroscopy and ab initio study Journal of Physical Chemistry A. 115: 10391-10397. DOI: 10.1021/jp205873g |
0.663 |
|
| 2011 |
Romanescu C, Sergeeva AP, Li WL, Boldyrev AI, Wang LS. Planarization of B 7 - and B 12 - clusters by isoelectronic substitution: AlB 6 - and AlB 11 - Journal of the American Chemical Society. 133: 8646-8653. DOI: 10.1021/ja2012438 |
0.669 |
|
| 2011 |
Week PF, Sergeeva AP, Kim E, Boldyrev AI, Czerwinski KR. Chemical bonding and aromaticity in trinuclear transition-metal halide clusters Inorganic Chemistry. 50: 1039-1046. DOI: 10.1021/ic101779w |
0.693 |
|
| 2011 |
Olson JK, Boldyrev AI. Ab initio search for global minimum structures of neutral and anionic B 4H 5 clusters. Optical isomerism in B 4H 5 and B 4H 5 - Chemical Physics Letters. 517: 62-67. DOI: 10.1016/J.Cplett.2011.10.009 |
0.642 |
|
| 2011 |
Olson JK, Boldyrev AI. Ab initio characterization of the flexural B3H8 - anion found in the reversible dehydrogenation Computational and Theoretical Chemistry. 967: 1-4. DOI: 10.1016/J.Comptc.2011.04.011 |
0.634 |
|
| 2011 |
Olson JK, Boldyrev AI. Ab initio search for global minimum structures of neutral and anionic B4H4 clusters Chemical Physics. 379: 1-5. DOI: 10.1016/J.Chemphys.2010.09.012 |
0.674 |
|
| 2011 |
Sergeeva AP, Boldyrev AI. Rational Design of Small 3D Gold Clusters Journal of Cluster Science. 22: 321-329. DOI: 10.1007/S10876-011-0386-2 |
0.699 |
|
| 2011 |
Romanescu C, Galeev TR, Li W, Boldyrev AI, Wang L. ChemInform Abstract: Aromatic Metal-Centered Monocyclic Boron Rings: Co@B-8and Ru@B-9. Cheminform. 43: no-no. DOI: 10.1002/chin.201202001 |
0.679 |
|
| 2011 |
Romanescu C, Sergeeva AP, Li W, Boldyrev AI, Wang L. ChemInform Abstract: Planarization of B7-and B12-Clusters by Isoelectronic Substitution: AlB6-and AlB11-. Cheminform. 42: no-no. DOI: 10.1002/chin.201138001 |
0.67 |
|
| 2011 |
Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS. Aromatic metal-centered monocyclic boron rings: CoB8 - and RuB9 - Angewandte Chemie - International Edition. 50: 9334-9337. DOI: 10.1002/anie.201104166 |
0.66 |
|
| 2010 |
Huang W, Sergeeva AP, Zhai HJ, Averkiev BB, Wang LS, Boldyrev AI. A concentric planar doubly π-aromatic B₁₉⁻ cluster. Nature Chemistry. 2: 202-6. PMID 21124477 DOI: 10.1038/Nchem.534 |
0.761 |
|
| 2010 |
Wang LM, Averkiev BB, Ramilowski JA, Huang W, Wang LS, Boldyrev AI. Planar to linear structural transition in small boron-carbon mixed clusters: C(x)B(5-x)- (x = 1-5). Journal of the American Chemical Society. 132: 14104-12. PMID 20857982 DOI: 10.1021/Ja103846Q |
0.399 |
|
| 2010 |
Sergeeva AP, Boldyrev AI. δ-Bonding in the [Pd4(μ4-C9H9)(μ4-C8H8)]+ sandwich complex. Physical Chemistry Chemical Physics : Pccp. 12: 12050-4. PMID 20725684 DOI: 10.1039/C0Cp00475H |
0.692 |
|
| 2010 |
Wang H, Ko YJ, Bowen KH, Sergeeva AP, Averkiev BB, Boldyrev AI. Combined experimental and theoretical investigation of three-dimensional, nitrogen-doped, gallium cluster anions. The Journal of Physical Chemistry. A. 114: 11070-7. PMID 20373798 DOI: 10.1021/Jp101419B |
0.679 |
|
| 2010 |
Sergeeva AP, Boldyrev AI. The chemical bonding of Re3Cl9 AND Re3Cl9 2- Revealed by the adaptive natural density partitioning analyses Comments On Inorganic Chemistry. 31: 2-12. DOI: 10.1080/02603590903498639 |
0.729 |
|
| 2010 |
Sergeeva AP, Boldyrev AI. δ-Bonding in the [Pd4(μ4-C9H 9)(μ4-C8H8)]+ sandwich complex Physical Chemistry Chemical Physics. 12: 12050-12054. DOI: 10.1039/c0cp00475h |
0.607 |
|
| 2010 |
Sergeeva AP, Boldyrev AI. Flattening a puckered pentasilacyclopentadienide ring by suppression of the pseudo Jahn-Teller effect Organometallics. 29: 3951-3954. DOI: 10.1021/Om1006038 |
0.649 |
|
| 2010 |
Zubarev DY, Boldyrev AI. Multiple aromaticity, multiple antiaromaticity, and conflicting aromaticity in planar clusters Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems. 1: 219-267. DOI: 10.1016/B978-0-444-53440-8.00005-7 |
0.671 |
|
| 2010 |
Sergeeva AP, Averkiev BB, Boldyrev AI. All-transition metal aromaticity and antiaromaticity Structure and Bonding. 136: 275-306. DOI: 10.1007/978-3-642-05243-9_8 |
0.62 |
|
| 2010 |
Li X, Zhang H, Wang L, Kuznetsov AE, Cannon NA, Boldyrev AI. ChemInform Abstract: Experimental and Theoretical Observations of Aromaticity in Heterocyclic XAl3- (X: Si, Ge, Sn, Pb) Systems. Cheminform. 32: no-no. DOI: 10.1002/chin.200133001 |
0.586 |
|
| 2009 |
Averkiev BB, Wang LM, Huang W, Wang LS, Boldyrev AI. Experimental and theoretical investigations of CB8-: towards rational design of hypercoordinated planar chemical species. Physical Chemistry Chemical Physics : Pccp. 11: 9840-9. PMID 19851564 DOI: 10.1039/B908973J |
0.44 |
|
| 2009 |
Olson JK, Boldyrev AI. Ab initio search for global minimum structures of the novel B3H(y) (y = 4-7) neutral and anionic clusters. Inorganic Chemistry. 48: 10060-7. PMID 19803489 DOI: 10.1021/Ic900905H |
0.643 |
|
| 2009 |
Wang XB, Sergeeva AP, Xing XP, Massaouti M, Karpuschkin T, Hampe O, Boldyrev AI, Kappes MM, Wang LS. Probing the electronic stability of multiply charged anions: sulfonated pyrene tri- and tetraanions. Journal of the American Chemical Society. 131: 9836-42. PMID 19552438 DOI: 10.1021/Ja903615G |
0.688 |
|
| 2009 |
Wang XB, Sergeeva AP, Yang J, Xing XP, Boldyrev AI, Wang LS. Photoelectron spectroscopy of cold hydrated sulfate clusters, SO4(2-)(H2O)n (n = 4-7): temperature-dependent isomer populations. The Journal of Physical Chemistry. A. 113: 5567-76. PMID 19419223 DOI: 10.1021/Jp900682G |
0.678 |
|
| 2009 |
Wang LM, Huang W, Wang LS, Averkiev BB, Boldyrev AI. Experimental and theoretical investigation of three-dimensional nitrogen-doped aluminum clusters Al8N- and Al8N. The Journal of Chemical Physics. 130: 134303. PMID 19355728 DOI: 10.1063/1.3097761 |
0.346 |
|
| 2009 |
Zubarev DY, Boldyrev AI. Deciphering chemical bonding in golden cages. The Journal of Physical Chemistry. A. 113: 866-8. PMID 19175335 DOI: 10.1021/Jp808103T |
0.743 |
|
| 2009 |
Wang XB, Sergeeva AP, Xing XP, Massaouti M, Karpuschkin T, Hampe O, Boldyrev AI, Kappes MM, Wang LS. Probing the electronic stability of multiply charged anions: Sulfonated pyrene tri- and tetraanions Journal of the American Chemical Society. 131: 9836-9842. DOI: 10.1021/ja903615g |
0.632 |
|
| 2009 |
Olson JK, Boldyrev AI. Ab initio search for global minimum structures of the novel B 3Hy (y=4-7) neutral and anionic clusters Inorganic Chemistry. 48: 10060-10067. DOI: 10.1021/ic900905h |
0.603 |
|
| 2008 |
Zubarev DY, Boldyrev AI. Revealing intuitively assessable chemical bonding patterns in organic aromatic molecules via adaptive natural density partitioning. The Journal of Organic Chemistry. 73: 9251-8. PMID 18980326 DOI: 10.1021/Jo801407E |
0.708 |
|
| 2008 |
Zubarev DY, Boldyrev AI. Developing paradigms of chemical bonding: adaptive natural density partitioning. Physical Chemistry Chemical Physics : Pccp. 10: 5207-17. PMID 18728862 DOI: 10.1039/B804083D |
0.735 |
|
| 2008 |
Zubarev DY, Boldyrev AI. Comment on "Instability of the Al4(2-) 'all-metal aromatic' ion and its implications". The Journal of Physical Chemistry. A. 112: 7984-5; discussion 7. PMID 18671377 DOI: 10.1021/Jp802760N |
0.657 |
|
| 2008 |
Averkiev BB, Zubarev DY, Wang LM, Huang W, Wang LS, Boldyrev AI. Carbon avoids hypercoordination in CB6(-), CB6(2-), and C2B5(-) planar carbon-boron clusters. Journal of the American Chemical Society. 130: 9248-50. PMID 18582042 DOI: 10.1021/Ja801211P |
0.721 |
|
| 2008 |
Sergeeva AP, Zubarev DY, Zhai HJ, Boldyrev AI, Wang LS. A photoelectron spectroscopic and theoretical study of B16- and B16(2-): an all-boron naphthalene. Journal of the American Chemical Society. 130: 7244-6. PMID 18479137 DOI: 10.1021/Ja802494Z |
0.825 |
|
| 2008 |
Yang J, Xing XP, Wang XB, Wang LS, Sergeeva AP, Boldyrev AI. Negative electron binding energies observed in a triply charged anion: photoelectron spectroscopy of 1-hydroxy-3,6,8-pyrene-trisulfonate. The Journal of Chemical Physics. 128: 091102. PMID 18331078 DOI: 10.1063/1.2889001 |
0.694 |
|
| 2008 |
Averkiev BB, Call S, Boldyrev AI, Wang LM, Huang W, Wang LS. Photoelectron spectroscopy and Ab initio study of the structure and bonding of Al7N- and Al7N. The Journal of Physical Chemistry. A. 112: 1873-9. PMID 18232674 DOI: 10.1021/Jp7106236 |
0.425 |
|
| 2008 |
Zubarev DY, Averkiev BB, Zhai HJ, Wang LS, Boldyrev AI. Aromaticity and antiaromaticity in transition-metal systems. Physical Chemistry Chemical Physics : Pccp. 10: 257-67. PMID 18213412 DOI: 10.1039/B713646C |
0.719 |
|
| 2008 |
Averkiev BB, Boldyrev AI. Theoretical design of planar molecules with a nona- and decacoordinate central atom Russian Journal of General Chemistry. 78: 769-773. DOI: 10.1134/S1070363208040361 |
0.428 |
|
| 2007 |
Wang LM, Huang W, Averkiev BB, Boldyrev AI, Wang LS. CB7-: experimental and theoretical evidence against hypercoordinate planar carbon. Angewandte Chemie (International Ed. in English). 46: 4550-3. PMID 17487912 DOI: 10.1002/Anie.200700869 |
0.429 |
|
| 2007 |
Zhai HJ, Averkiev BB, Zubarev DY, Wang LS, Boldyrev AI. Delta aromaticity in [Ta3O3]-. Angewandte Chemie (International Ed. in English). 46: 4277-80. PMID 17465436 DOI: 10.1002/Anie.200700442 |
0.761 |
|
| 2007 |
Call ST, Zubarev DY, Boldyrev AI. Global minimum structure searches via particle swarm optimization. Journal of Computational Chemistry. 28: 1177-86. PMID 17299774 DOI: 10.1002/Jcc.20621 |
0.681 |
|
| 2007 |
Zubarev DY, Boldyrev AI, Li J, Zhai HJ, Wang LS. On the chemical bonding of gold in auro-boron oxide clusters AunBO- (n = 1-3). The Journal of Physical Chemistry. A. 111: 1648-58. PMID 17298038 DOI: 10.1021/Jp0657437 |
0.756 |
|
| 2007 |
Averkiev BB, Boldyrev AI, Li X, Wang LS. Probing the structure and bonding in Al6N- and Al6N by photoelectron spectroscopy and ab initio calculations. The Journal of Physical Chemistry. A. 111: 34-41. PMID 17201385 DOI: 10.1021/Jp066747E |
0.487 |
|
| 2007 |
Zubarev DY, Boldyrev AI. Comprehensive analysis of chemical bonding in boron clusters. Journal of Computational Chemistry. 28: 251-68. PMID 17111395 DOI: 10.1002/Jcc.20518 |
0.742 |
|
| 2006 |
Averkiev BB, Boldyrev AI, Li X, Wang LS. Planar nitrogen-doped aluminum clusters AlxN- (x=3-5). The Journal of Chemical Physics. 125: 124305. PMID 17014172 DOI: 10.1063/1.2335449 |
0.445 |
|
| 2006 |
Zubarev DY, Li J, Wang LS, Boldyrev AI. Theoretical probing of deltahedral closo-auroboranes B(x)Au(x)2- (x = 5-12). Inorganic Chemistry. 45: 5269-71. PMID 16813385 DOI: 10.1021/Ic060615I |
0.687 |
|
| 2006 |
Cui LF, Huang X, Wang LM, Zubarev DY, Boldyrev AI, Li J, Wang LS. Sn12(2-): stannaspherene. Journal of the American Chemical Society. 128: 8390-1. PMID 16802791 DOI: 10.1021/Ja062052F |
0.742 |
|
| 2006 |
Zubarev DY, Boldyrev AI, Li X, Wang LS. Observation of triatomic species with conflicting aromaticity: AlSi2- and AlGe2-. The Journal of Physical Chemistry. B. 110: 9743-6. PMID 16706418 DOI: 10.1021/Jp060690E |
0.739 |
|
| 2006 |
Zubarev DY, Alexandrova AN, Boldyrev AI, Cui LF, Li X, Wang LS. On the structure and chemical bonding of Si6(2-) and Si6(2-) in NaSi6(-) upon Na+ coordination. The Journal of Chemical Physics. 124: 124305. PMID 16599672 DOI: 10.1063/1.2177254 |
0.759 |
|
| 2006 |
Zhai HJ, Wang LS, Zubarev DY, Boldyrev AI. Gold apes hydrogen. The structure and bonding in the planar B7Au2- and B7Au2 clusters. The Journal of Physical Chemistry. A. 110: 1689-93. PMID 16450996 DOI: 10.1021/Jp0559074 |
0.768 |
|
| 2006 |
Alexandrova AN, Koyle E, Boldyrev AI. Theoretical study of hydrogenation of the doubly aromatic B7- cluster. Journal of Molecular Modeling. 12: 569-76. PMID 16261298 DOI: 10.1007/S00894-005-0035-5 |
0.613 |
|
| 2006 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry Coordination Chemistry Reviews. 250: 2811-2866. DOI: 10.1016/J.Ccr.2006.03.032 |
0.603 |
|
| 2005 |
Alexandrova AN, Boldyrev AI. Search for the Lin(0/+1/-1) (n = 5-7) Lowest-Energy Structures Using the ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters. Journal of Chemical Theory and Computation. 1: 566-80. PMID 26641677 DOI: 10.1021/Ct050093G |
0.621 |
|
| 2005 |
Elliott BM, Boldyrev AI. Ab initio probing of the aromatic oxygen cluster O4(2+). The Journal of Physical Chemistry. A. 109: 236-9. PMID 16839112 DOI: 10.1021/Jp0473016 |
0.33 |
|
| 2005 |
Elliott BM, Boldyrev AI. The oxygen-rich carboxide series: COn (n = 3, 4, 5, 6, 7, or 8). The Journal of Physical Chemistry. A. 109: 3722-7. PMID 16839040 DOI: 10.1021/Jp0449455 |
0.353 |
|
| 2005 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Cu3C4-: a new sandwich molecule with two revolving C2(2-) units. The Journal of Physical Chemistry. A. 109: 562-70. PMID 16833380 DOI: 10.1021/Jp047384Q |
0.565 |
|
| 2005 |
Elliott BM, Koyle E, Boldyrev AI, Wang XB, Wang LS. MX3(-) superhalogens (M = Be, Mg, Ca; X = Cl, Br): a photoelectron spectroscopic and ab initio theoretical study. The Journal of Physical Chemistry. A. 109: 11560-7. PMID 16354048 DOI: 10.1021/Jp054036V |
0.376 |
|
| 2005 |
Zubarev DY, Boldyrev AI, Li X, Cui LF, Wang LS. Chemical bonding in Si5(2-) and NaSi5(-) via photoelectron spectroscopy and ab initio calculations. The Journal of Physical Chemistry. A. 109: 11385-94. PMID 16354025 DOI: 10.1021/Jp0526748 |
0.701 |
|
| 2005 |
Boldyrev AI, Wang LS. All-metal aromaticity and antiaromaticity. Chemical Reviews. 105: 3716-57. PMID 16218565 DOI: 10.1021/Cr030091T |
0.353 |
|
| 2005 |
Zubarev DY, Boldyrev AI. Appraisal of the performance of nonhybrid density functional methods in characterization of the Al4C molecule. The Journal of Chemical Physics. 122: 144322. PMID 15847537 DOI: 10.1063/1.1873532 |
0.704 |
|
| 2005 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Photoelectron spectroscopy and ab initio study of the doubly antiaromatic B(6) (2-) dianion in the LiB(6) (-) cluster. The Journal of Chemical Physics. 122: 54313. PMID 15740328 DOI: 10.1063/1.1839575 |
0.663 |
|
| 2004 |
Zhai HJ, Kuznetsov AE, Boldyrev AI, Wang LS. Multiple aromaticity and antiaromaticity in silicon clusters. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 1885-91. PMID 15648137 DOI: 10.1002/Cphc.200400077 |
0.677 |
|
| 2004 |
Alexandrova AN, Boldyrev AI, Fu YJ, Yang X, Wang XB, Wang LS. Structure of the Na(x)Cl(x+1) (-) (x=1-4) clusters via ab initio genetic algorithm and photoelectron spectroscopy. The Journal of Chemical Physics. 121: 5709-19. PMID 15366994 DOI: 10.1063/1.1783276 |
0.569 |
|
| 2004 |
Elliott BM, Boldyrev AI. Ozonic acid and its ionic salts: ab initio probing of the O(4)(2)(-) dianion. Inorganic Chemistry. 43: 4109-11. PMID 15236518 DOI: 10.1021/Ic049418E |
0.312 |
|
| 2004 |
Alexandrova AN, Boldyrev AI. Arachno, nido, and closo aromatic isomers of the Li6B6H6 molecule. Inorganic Chemistry. 43: 3588-92. PMID 15180411 DOI: 10.1021/Ic049835R |
0.596 |
|
| 2004 |
Alexandrova AN, Zhai HJ, Wang LS, Boldyrev AI. Molecular wheel B8(2-) as a new inorganic ligand. photoelectron spectroscopy and ab initio characterization of LiB8(-). Inorganic Chemistry. 43: 3552-4. PMID 15180405 DOI: 10.1021/Ic049706A |
0.619 |
|
| 2004 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Electronic Structure, Isomerism, and Chemical Bonding in B 7 - and B 7 Journal of Physical Chemistry A. 108: 3509-3517. DOI: 10.1021/Jp037341U |
0.62 |
|
| 2004 |
Kuznetsov AE, Boldyrev AI. A single π-bond captures 3, 4 and 5 atoms Chemical Physics Letters. 388: 452-456. DOI: 10.1016/J.Cplett.2004.02.083 |
0.697 |
|
| 2003 |
Zhai HJ, Alexandrova AN, Birch KA, Boldyrev AI, Wang LS. Hepta- and octacoordinate boron in molecular wheels of eight- and nine-atom boron clusters: observation and confirmation. Angewandte Chemie (International Ed. in English). 42: 6004-8. PMID 14679555 DOI: 10.1002/Anie.200351874 |
0.617 |
|
| 2003 |
Alexandrova AN, Birch KA, Boldyrev AI. Flattening the b(6)h(6)(2-) octahedron Ab initio prediction of a new family of planar all-boron aromatic molecules. Journal of the American Chemical Society. 125: 10786-7. PMID 12952448 DOI: 10.1002/CHIN.200349002 |
0.597 |
|
| 2003 |
Kuznetsov AE, Birch KA, Boldyrev AI, Li X, Zhai HJ, Wang LS. All-metal antiaromatic molecule: rectangular Al4(4-) in the Li3Al4(-) anion. Science (New York, N.Y.). 300: 622-5. PMID 12714740 DOI: 10.1126/Science.1082477 |
0.676 |
|
| 2003 |
Zhai HJ, Wang LS, Alexandrova AN, Boldyrev AI, Zakrzewski VG. Photoelectron Spectroscopy and ab Initio Study of B3 - and B4 - Anions and Their Neutrals Journal of Physical Chemistry A. 107: 9319-9328. DOI: 10.1021/Jp0357119 |
0.615 |
|
| 2003 |
Alexandrova AN, Boldyrev AI. σ-Aromaticity and σ-antiaromaticity in alkali metal and alkaline earth metal small clusters Journal of Physical Chemistry A. 107: 554-560. DOI: 10.1021/Jp027008A |
0.618 |
|
| 2003 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS, Steiner E, Fowler PW. Structure and bonding in B6 - and B6: Planarity and antiaromaticity Journal of Physical Chemistry A. 107: 1359-1369. DOI: 10.1021/Jp0268866 |
0.632 |
|
| 2003 |
Elliott B, Alexandrova AN, Boldyrev AI. Hydrogen trioxide anion: A possible atmospheric intermediate and path to oxygen-rich molecules Journal of Physical Chemistry A. 107: 1203-1206. DOI: 10.1021/Jp026126V |
0.599 |
|
| 2003 |
Kuznetsov AE, Birch KA, Boldyrev AI, Li X, Zhai H, Wang L. All-Metal Antiaromatic Molecule: Rectangular Al4-4 in the Li3Al-4 Anion. Cheminform. 34. DOI: 10.1002/chin.200330002 |
0.601 |
|
| 2002 |
Kuznetsov AE, Zhai HJ, Wang LS, Boldyrev AI. Peculiar antiaromatic inorganic molecules of tetrapnictogen in Na+Pn4- (Pn = P, As, Sb) and important consequences for hydrocarbons. Inorganic Chemistry. 41: 6062-70. PMID 12425634 DOI: 10.1021/Ic020426+ |
0.695 |
|
| 2002 |
Kuznetsov AE, Boldyrev AI, Zhai HJ, Li X, Wang LS. Al(6)(2-) - fusion of two aromatic Al(3)(-) units. A combined photoelectron spectroscopy and ab initio study of M(+)[Al(6)(2-)] (M = Li, Na, K, Cu, and Au). Journal of the American Chemical Society. 124: 11791-801. PMID 12296747 DOI: 10.1021/Ja027423G |
0.668 |
|
| 2002 |
Kuznetsov AE, Boldyrev AI. Peculiar transformation of a nonaromatic Al(4)Cl(4)(NH(3))(4) into an aromatic Na(2)Al(4)Cl(4)(NH(3))(4). Inorganic Chemistry. 41: 3596-8. PMID 12099859 DOI: 10.1021/Ic0256314 |
0.64 |
|
| 2002 |
Geske GD, Boldyrev AI. Ab initio structure of the (Na(2)[CAl(4)])(2) dimer. Next step toward solid materials containing tetracoordinate planar carbon. Inorganic Chemistry. 41: 2795-8. PMID 12005505 DOI: 10.1021/Ic0112241 |
0.404 |
|
| 2002 |
Boldyrev AI, Kuznetsov AE. On the resonance energy in new all-metal aromatic molecules. Inorganic Chemistry. 41: 532-7. PMID 11825080 DOI: 10.1021/Ic010840U |
0.673 |
|
| 2002 |
Zhai HJ, Wang LS, Alexandrova AN, Boldyrev AI. Electronic structure and chemical bonding of B5 - and B5 by photoelectron spectroscopy and ab initio calculations Journal of Chemical Physics. 117: 7917-7924. DOI: 10.1063/1.1511184 |
0.661 |
|
| 2002 |
Li X, Wang LS, Cannon NA, Boldyrev AI. Electronic structure and chemical boning in nonstoichiometric molecules: Al3X2 -(X=C,Si,Ge). A photoelectron spectroscopy and ab initio study Journal of Chemical Physics. 116: 1330-1338. DOI: 10.1063/1.1429652 |
0.434 |
|
| 2002 |
Kuznetsov AE, Boldyrev AI. Theoretical evidence of aromaticity in X3 - (X = B, Al, Ga) species Structural Chemistry. 13: 141-148. DOI: 10.1023/A:1015704515336 |
0.687 |
|
| 2002 |
Al-Shemali M, Boldyrev AI. Search for ionic orthocarbonates: Ab initio study of Na4CO4 Journal of Physical Chemistry A. 106: 8951-8954. DOI: 10.1021/Jp020207+ |
0.35 |
|
| 2002 |
Zhai HJ, Wang LS, Kuznetsov AE, Boldyrev AI. Probing the electronic structure and aromaticity of pentapnictogen cluster anions Pn5 - (Pn = P, As, Sb, and Bi) using photoelectron spectroscopy and ab initio calculations Journal of Physical Chemistry A. 106: 5600-5606. DOI: 10.1021/Jp020115K |
0.709 |
|
| 2001 |
Kuznetsov AE, Corbett JD, Wang LS, Boldyrev AI. Aromatic Mercury Clusters in Ancient Amalgams Work done at Utah State University is supported by the donors to The Petroleum Research Fund, administered by the American Chemical Society. Work done at Iowa State University is supported by Basic Energy Sciences, the U.S. Department of Energy. Work done at Washington State University is supported by the National Science Foundation (DMR-0095828) and performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle. Angewandte Chemie (International Ed. in English). 40: 3369-3372. PMID 11592141 DOI: 10.1002/1521-3773(20010917)40:18<3369::Aid-Anie3369>3.0.Co;2-Z |
0.612 |
|
| 2001 |
Kuznetsov AE, Boldyrev AI, Li X, Wang LS. On the aromaticity of square planar Ga4(2-) and In4(2-) in gaseous NaGa4- and NaIn4- clusters. Journal of the American Chemical Society. 123: 8825-31. PMID 11535089 DOI: 10.1021/Ja0106117 |
0.694 |
|
| 2001 |
Li X, Zhang HF, Wang LS, Kuznetsov AE, Cannon NA, Boldyrev AI. Experimental and Theoretical Observations of Aromaticity in Heterocyclic XAl(3)(-) (X=Si, Ge, Sn, Pb) Systems The experimental work reported herein was supported by the National Science Foundation (DMR-0095828) and was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory, which is operated for DOE by the Battelle Memorial Institute. L.S.W. is an Alfred P. Sloan Foundation Research Fellow. The theoretical work was carried out at the Utah State University and was supported by the donors of The Petroleum Research Fund (ACS-PRF 35255-AC6), administered by the American Chemical Society. Angewandte Chemie (International Ed. in English). 40: 1867-1870. PMID 11385658 DOI: 10.1002/1521-3773(20010518)40:10<1867::Aid-Anie1867>3.0.Co;2-W |
0.609 |
|
| 2001 |
Li XL, Kuznetsov AE, Zhang HF, Boldyrev AI, Wang LS. Observation of all-metal aromatic molecules. Science (New York, N.Y.). 291: 859-61. PMID 11157162 DOI: 10.1126/Science.291.5505.859 |
0.712 |
|
| 2001 |
Boldyrev AI, Wang LS. Beyond classical stoichiometry: Experiment and theory Journal of Physical Chemistry A. 105: 10759-10775. DOI: 10.1021/Jp0122629 |
0.403 |
|
| 2000 |
Boldyrev AI, Li X, Wang LS. Vibrationally resolved photoelectron spectra of CuCN- and AgCN- and ab initio studies of the structure and bonding in CuCN Journal of Chemical Physics. 112: 3627-3632. DOI: 10.1063/1.480516 |
0.415 |
|
| 2000 |
Geske GD, Boldyrev AI, Li X, Wang LS. On the origin of planarity in Al5 - and Al5 clusters: The importance of a four-center peripheral bond Journal of Chemical Physics. 113: 5130-5133. DOI: 10.1063/1.1311966 |
0.435 |
|
| 2000 |
Cannon NA, Boldyrev AI, Li X, Wang LS. The electronic structure and chemical bonding of aluminum acetylide: Al2C2 and Al2C2 -: An experimental and theoretical investigation Journal of Chemical Physics. 113: 2671-2679. DOI: 10.1063/1.1305881 |
0.421 |
|
| 2000 |
Boldyrev AI, Li X, Wang LS. "Napoleon hat" structure of tetraatomic molecules. A combined photoelectron spectroscopy and Ab initio study of CAlSi2 - and its neutral Journal of Physical Chemistry A. 104: 5358-5365. DOI: 10.1021/Jp000262N |
0.387 |
|
| 2000 |
Wang LS, Boldyrev AI, Li X, Simons J. Experimental observation of pentaatomic tetracoordinate planar carbon-containing molecules Journal of the American Chemical Society. 122: 7681-7687. DOI: 10.1021/Ja993081B |
0.57 |
|
| 1999 |
Boldyrev AI, Simons J, Li X, Wang L. The electronic structure and chemical bonding of hypermetallic Al5C by ab initio calculations and anion photoelectron spectroscopy The Journal of Chemical Physics. 111: 4993-4998. DOI: 10.1063/1.479744 |
0.597 |
|
| 1999 |
Boldyrev AI, Simons J, Li X, Chen W, Wang L. Combined photoelectron spectroscopy and ab initio study of the hypermetallic Al3C molecule The Journal of Chemical Physics. 110: 8980-8985. DOI: 10.1063/1.478816 |
0.584 |
|
| 1999 |
Wang X, Ding C, Wang L, Boldyrev AI, Simons J. First experimental photoelectron spectra of superhalogens and their theoretical interpretations The Journal of Chemical Physics. 110: 4763-4771. DOI: 10.1063/1.478386 |
0.495 |
|
| 1999 |
Boldyrev AI, Simons J. Inversion in the relative stabilities of HBO and BOH upon ionization The Journal of Chemical Physics. 110: 3765-3768. DOI: 10.1063/1.478266 |
0.504 |
|
| 1999 |
Boldyrev AI, Simons J. On the Possibility of Mixed Rydberg-Valence Bonds The Journal of Physical Chemistry A. 103: 3575-3580. DOI: 10.1021/Jp990293M |
0.567 |
|
| 1999 |
Boldyrev AI, Simons J, Li X, Wang L. π- and σ-Coordinated Al in AlC2-and AlCSi-. A Combined Photoelectron Spectroscopy and ab Initio Study Journal of the American Chemical Society. 121: 10193-10197. DOI: 10.1021/Ja992102Z |
0.562 |
|
| 1999 |
Li X, Wang L, Boldyrev AI, Simons J. Tetracoordinated Planar Carbon in the Al4C-Anion. A Combined Photoelectron Spectroscopy and ab Initio Study Journal of the American Chemical Society. 121: 6033-6038. DOI: 10.1021/Ja9906204 |
0.425 |
|
| 1998 |
Boldyrev AI, Simons J. On the Ground Electronic States of TiF and TiCl Journal of Molecular Spectroscopy. 188: 138-41. PMID 9535681 DOI: 10.1006/Jmsp.1997.7512 |
0.517 |
|
| 1998 |
Russon LM, Rothschopf GK, Morse MD, Boldyrev AI, Simons J. Two-photon ionization spectroscopy and all-electron ab initio study of LiCa Journal of Chemical Physics. 109: 6655-6665. DOI: 10.1063/1.477317 |
0.527 |
|
| 1998 |
Boldyrev AI, Simons J, Scherer JJ, Paul JB, Collier CP, Saykally RJ. On the ground electronic states of copper silicide and its ions The Journal of Chemical Physics. 108: 5728-5732. DOI: 10.1063/1.475982 |
0.534 |
|
| 1998 |
Stefanovich EV, Boldyrev AI, Truong TN, Simons J. Ab Initio Study of the Stabilization of Multiply Charged Anions in Water The Journal of Physical Chemistry B. 102: 4205-4208. DOI: 10.1021/Jp980766+ |
0.483 |
|
| 1998 |
Ling P, Boldyrev AI, Simons J, Wight CA. Laser photolysis of matrix-isolated methyl nitrate: Experimental and theoretical characterization of the infrared spectrum of imine peroxide (HNOO) Journal of the American Chemical Society. 120: 12327-12333. DOI: 10.1021/Ja9824223 |
0.48 |
|
| 1997 |
Boldyrev AI, Simons J. Ab initio study of the bonding of zinc atoms to first- and second-row main group atoms Molecular Physics. 92: 365-379. DOI: 10.1080/002689797170103 |
0.548 |
|
| 1997 |
Gutsev GL, Bartlett RJ, Boldyrev AI, Simons J. Adiabatic electron affinities of small superhalogens: LiF2, LiCl2, NaF2, and NaCl2 The Journal of Chemical Physics. 107: 3867-3875. DOI: 10.1063/1.474764 |
0.563 |
|
| 1997 |
Boldyrev AI, Simons J. Peculiar Structures of Small Magnesium Carbide Clusters: MgC2, (MgC2)2, and (MgC2)4 The Journal of Physical Chemistry A. 101: 2215-2217. DOI: 10.1021/Jp962907I |
0.607 |
|
| 1997 |
Boldyrev AI, Simons J. Ab Initio Predictions of New Carbon Hypermagnesium Species: Mg2C and Mg3C The Journal of Physical Chemistry A. 101: 902-906. DOI: 10.1021/Jp9615868 |
0.488 |
|
| 1997 |
Boldyrev AI, Simons J. Polyhedral Ionic Molecules Journal of the American Chemical Society. 119: 4618-4621. DOI: 10.1021/Ja964063M |
0.534 |
|
| 1996 |
Gutowski M, Skurski P, Boldyrev AI, Simons J, Jordan KD. Contribution of electron correlation to the stability of dipole-bound anionic states. Physical Review. A. 54: 1906-1909. PMID 9913678 DOI: 10.1103/Physreva.54.1906 |
0.525 |
|
| 1996 |
Boldyrev AI, Simons J. Why Are (MgO)nClusters and Crystalline MgO So Reactive? The Journal of Physical Chemistry. 100: 8023-8030. DOI: 10.1021/Jp953617P |
0.536 |
|
| 1996 |
Gutowski M, Boldyrev AI, Simons J, Rak J, Błażejowski J. Properties of Closed-Shell, Octahedral, Multiply-Charged Hexafluorometallates MF63-, M = Sc, Y, La, ZrF62-, and TaF6- Journal of the American Chemical Society. 118: 1173-1180. DOI: 10.1021/Ja952412R |
0.491 |
|
| 1996 |
Boldyrev AI, Gutowski M, Simons J. Small Multiply Charged Anions as Building Blocks in Chemistry Accounts of Chemical Research. 29: 497-502. DOI: 10.1021/Ar960147O |
0.529 |
|
| 1996 |
Boldyrev AI, Simons J. Predictions of ground states of LiGa and NaGa Chemical Physics Letters. 262: 807-812. DOI: 10.1016/S0009-2614(96)01138-4 |
0.503 |
|
| 1995 |
Boldyrev AI, Simons J, Mil’nikov GV, Benderskii VA, Grebenshchikov SY, Vetoshkin EV. Abinitiovibration–rotation‐tunneling spectra and dynamics of H2⋅F−and its isotopomers The Journal of Chemical Physics. 102: 1295-1305. DOI: 10.1063/1.468918 |
0.476 |
|
| 1995 |
Boldyrev AI, Simons J. Ab Initio Study of the Strong Binding of BeO to Li, Be, and B Atoms in the Hyperstoichiometric LiOBe, BeOBe, and BeOB Molecules The Journal of Physical Chemistry. 99: 15041-15045. DOI: 10.1021/J100041A020 |
0.576 |
|
| 1995 |
Boldyrev AI, Simons J, von R. Schleyer P. Ab initio study of the hypermagnesium Mg2O+ and Mg3O+ cations Chemical Physics Letters. 233: 266-272. DOI: 10.1016/0009-2614(94)01443-Y |
0.447 |
|
| 1995 |
Nefedova VV, Boldyrev AI, Simons J. Ab initio energies and tunneling lifetimes of the doubly charged AH2+ (A = Mg?Ar) diatomics International Journal of Quantum Chemistry. 55: 441-457. DOI: 10.1002/Qua.560550603 |
0.484 |
|
| 1994 |
Goldberg N, Iraqi M, Schwarz H, Boldyrev A, Simons J. A combined experimental and theoretical study of the neutral, cationic, and anionic Si3N cluster molecule The Journal of Chemical Physics. 101: 2871-2879. DOI: 10.1063/1.467601 |
0.566 |
|
| 1994 |
Behm JM, Morse MD, Boldyrev AI, Simons J. Interaction of an aluminum atom with an alkaline earth atom: Spectroscopic and ab initio investigations of AlCa The Journal of Chemical Physics. 101: 5441-5453. DOI: 10.1063/1.467333 |
0.524 |
|
| 1994 |
Gutowski M, Boldyrev AI, Ortiz JV, Simons J. Vertical Electron Detachment Energies for Octahedral Closed-Shell Multiply-Charged Anions Journal of the American Chemical Society. 116: 9262-9268. DOI: 10.1021/Ja00099A050 |
0.53 |
|
| 1994 |
Boldyrev AI, Gonzales N, Simons J. Periodicity and Peculiarity in 120 First- and Second-Row Diatomic Molecules The Journal of Physical Chemistry. 98: 9931-9944. DOI: 10.1021/J100091A001 |
0.504 |
|
| 1994 |
Boldyrev AI, Simons J. Isolated SO42- and PO43- Anions Do Not Exist The Journal of Physical Chemistry. 98: 2298-2300. DOI: 10.1021/J100060A015 |
0.516 |
|
| 1994 |
Boldyrev AI, Simons J, Zakrzewski VG, von Niessen W. Vertical and adiabatic ionization energies and electron affinities of new silicon-carbon (SinC) and silicon-oxygen (SinO) (n = 1-3) molecules The Journal of Physical Chemistry. 98: 1427-1435. DOI: 10.1021/J100056A010 |
0.504 |
|
| 1993 |
Boldyrev AI, Simons J. Erratum: Ab initio study of geometrically metastable multiprotonated species: MHk+n [J. Chem. Phys. 97, 4272 (1992)] The Journal of Chemical Physics. 99: 769-770. DOI: 10.1063/1.466245 |
0.478 |
|
| 1993 |
Boldyrev AI, Simons J. Vertical and adiabatical ionization potentials of MH−K+1 anions. Ab initio study of the structure and stability of hypervalent MHk+1 molecules The Journal of Chemical Physics. 99: 4628-4637. DOI: 10.1063/1.466061 |
0.578 |
|
| 1993 |
Boldyrev AI, Simons J, Schleyer PvR. Ab initio study of the electronic structures of lithium containing diatomic molecules and ions The Journal of Chemical Physics. 99: 8793-8804. DOI: 10.1063/1.465600 |
0.566 |
|
| 1993 |
Boldyrev AI, Simons J. Theoretical search for small linear doubly charged anions The Journal of Chemical Physics. 98: 4745-4752. DOI: 10.1063/1.464978 |
0.516 |
|
| 1993 |
Nefedova VV, Boldyrev AI, Simons J. Graphical description of the symmetries of potential energy surfaces The Journal of Chemical Physics. 98: 8801-8809. DOI: 10.1063/1.464489 |
0.45 |
|
| 1993 |
Boldyrev AI, Simons J. Ab initio study of low-lying electronic states of XP (X = Li-B, Na-Si) The Journal of Physical Chemistry. 97: 6149-6154. DOI: 10.1021/J100125A011 |
0.564 |
|
| 1993 |
Boldyrev AI, Simons J. Ab initio study of the silicon oxide (Si2O and Si3O) molecules The Journal of Physical Chemistry. 97: 5875-5881. DOI: 10.1021/J100124A016 |
0.488 |
|
| 1993 |
Boldyrev AI, Simons J. Diatomic molecules containing electropositive atoms favor high-spin states The Journal of Physical Chemistry. 97: 1526-1532. DOI: 10.1021/J100110A012 |
0.555 |
|
| 1993 |
Boldyrev AI, Simons J. Rydberg bonding in ammonium dimer ((NH4)2). [Erratum to document cited in CA117(22):220446z] The Journal of Physical Chemistry. 97: 1470-1470. DOI: 10.1021/J100109A037 |
0.471 |
|
| 1992 |
Boldyrev AI, Simons J. Ab initio study of geometrically metastable multiprotonated species: MHk+n The Journal of Chemical Physics. 97: 4272-4281. DOI: 10.1063/1.463929 |
0.5 |
|
| 1992 |
Boldyrev AI, Simons J. Theoretical search for large Rydberg molecules: NH3CH3, NH2(CH3)2, NH(CH3)3, and N(CH3)4 The Journal of Chemical Physics. 97: 6621-6627. DOI: 10.1063/1.463665 |
0.434 |
|
| 1992 |
Boldyrev AI, Simons J. Is TeF2−8the MX2−ndianion with the largest electron detachment energy (5 eV) The Journal of Chemical Physics. 97: 2826-2827. DOI: 10.1063/1.463025 |
0.53 |
|
| 1992 |
Boldyrev AI, Zhdankin VV, Simons J, Stang PJ. Macrocyclic, square planar, tetraalkynyl tetraiodonium salts: structures, stabilities, and vibrational frequencies via ab initio calculations Journal of the American Chemical Society. 114: 10569-10572. DOI: 10.1021/Ja00052A062 |
0.619 |
|
| 1992 |
Boldyrev AI, Shamovskii IL, Schleyer PvR. Ab initio prediction of the structure and stabilities of the hypermagnesium oxide molecules: Mg2O, Mg3O, and Mg4O Journal of the American Chemical Society. 114: 6469-6475. DOI: 10.1021/Ja00042A027 |
0.314 |
|
| 1992 |
Boldyrev AI, Simons J. Rydberg bonding in ammonium dimer ((NH4)2) The Journal of Physical Chemistry. 96: 8840-8843. DOI: 10.1021/J100201A029 |
0.496 |
|
| 1992 |
Shulg'a Y, Boldyrev A, Ovchinnikov A. Auger electron spectroscopy and electron energy-loss spectroscopy study of ferromagnetic carbon Chemical Physics Letters. 189: 577-580. DOI: 10.1016/0009-2614(92)85253-7 |
0.357 |
|
| 1992 |
Boldyrev AI, Schleyer PvR, Higgins D, Thomson C, Kramarenko SS. Ab Initio investigation of the structures and stabilities of CH2N2, CHFN2, and CF2N2 isomers: Important consequences of MP2 optimizations Journal of Computational Chemistry. 13: 1066-1078. DOI: 10.1002/Jcc.540130905 |
0.343 |
|
| 1991 |
Schleyer PvR, Boldyrev AI. A new, general strategy for achieving planar tetracoordinate geometries for carbon and other second row periodic elements Journal of the Chemical Society, Chemical Communications. 1536-1538. DOI: 10.1039/C39910001536 |
0.322 |
|
| 1991 |
Boldyrev AI, Schleyer PvR. Ab initio prediction of the structures and stabilities of the hyperaluminum molecules: Al3O and square-planar Al4O Journal of the American Chemical Society. 113: 9045-9054. DOI: 10.1021/Ja00024A003 |
0.336 |
|
| 1991 |
Weikert H-, Cederbaum LS, Tarantelli F, Boldyrev AI. On the existence of free doubly negative molecular ions Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 18: 299-305. DOI: 10.1007/Bf01437084 |
0.303 |
|
| 1990 |
Gutsev GL, Boldyrev AI. Theoretical estimation of the maximal value of the first, second and higher electron affinity of chemical compounds The Journal of Physical Chemistry. 94: 2256-2259. DOI: 10.1021/J100369A012 |
0.316 |
|
| 1990 |
Boldyrev AI, Schleyer PvR. The electron affinity of LiBO2 and the structure of its negative ion, LiBO−2 Chemical Physics Letters. 172: 193-200. DOI: 10.1016/0009-2614(90)87296-4 |
0.357 |
|
| 1989 |
Gutsev G, Boldyrev A. Determination of the geometric structure of inorganic molecules from the character of their core level shifts Journal of Electron Spectroscopy and Related Phenomena. 49: 1-22. DOI: 10.1016/0368-2048(89)80033-7 |
0.375 |
|
| 1989 |
Gutsev G, Boldyrev A. The relationship between geometrical and electronic structures in transition metal tetrafluorides International Journal of Mass Spectrometry and Ion Processes. 91: 135-144. DOI: 10.1016/0168-1176(89)83004-6 |
0.378 |
|
| 1988 |
Ulitsky A, Boldyrev A, Gutsev G, Ovchinnikov A. The electronic structure of substituted all-trans-polyenes Synthetic Metals. 25: 345-364. DOI: 10.1016/0379-6779(88)90575-9 |
0.39 |
|
| 1987 |
Gutsev GL, Boldyrev AI. The Electronic Structure of Superhalogens and Superalkalies Russian Chemical Reviews. 56: 519-531. DOI: 10.1070/Rc1987V056N06Abeh003287 |
0.344 |
|
| 1986 |
Gutsev GL, Boldyrev AI, Ovchinnikov AA. The electronic structure of all-trans-polyenes C2nH2n+2,n = 3-7 International Journal of Quantum Chemistry. 30: 647-661. DOI: 10.1002/Qua.560300508 |
0.414 |
|
| 1986 |
Gutsev GL, Boldyrev AI, Ovchinnikov AA. Energies of optical excitations and ionization potentials for hydrocarbons with multiple bonds according to results of theDVM-X? calculations International Journal of Quantum Chemistry. 30: 625-631. DOI: 10.1002/Qua.560300506 |
0.349 |
|
| 1985 |
Gutsev G, Boldyrev A. The effect of inversion of the 1s ligand level splittings in gaseous inorganic salts Journal of Electron Spectroscopy and Related Phenomena. 37: 23-35. DOI: 10.1016/0368-2048(85)80080-3 |
0.378 |
|
| 1984 |
Gutsev G, Boldyrev A. The electronic structure of the 3dand 4dmetal hexafluoride anions and the electron affinities of the corresponding neutrals Molecular Physics. 53: 23-31. DOI: 10.1080/00268978400102111 |
0.379 |
|
| 1984 |
Gutsev G, Boldyrev A. The relationship between the electronic structures of the 3d and 4d metal tetraoxianions and the electron affinities of the corresponding neutrals Chemical Physics Letters. 108: 255-258. DOI: 10.1016/0009-2614(84)87060-8 |
0.329 |
|
| 1984 |
Gutsev G, Boldyrev A. The way to systems with the highest possible electron affinity Chemical Physics Letters. 108: 250-254. DOI: 10.1016/0009-2614(84)87059-1 |
0.346 |
|
| 1983 |
Gutsev G, Boldyrev A. An explanation of the high electron affinities of the 5d-metal hexafluorides Chemical Physics Letters. 101: 441-445. DOI: 10.1016/0009-2614(83)87510-1 |
0.314 |
|
| 1983 |
Sukhanov L, Boldyrev A, Charkin O. Ab initio study of structure and stability of the dimer (LiBeH3)2. Alternative configurations with mono- and bi-nuclear anions Chemical Physics Letters. 97: 373-377. DOI: 10.1016/0009-2614(83)80511-9 |
0.387 |
|
| 1983 |
Boldyrev AI, Zakzhevskii VG, Charkin OP. Ab initio investigation of intramolecular rearrangements and nature of barriers in SH6 and SF6 molecules Journal of Structural Chemistry. 23: 844-847. DOI: 10.1007/Bf00746531 |
0.332 |
|
| 1983 |
Kirillov YB, Boldyrev AI, Klimenko NM, Charkin OP. Anab initio calculation of the structure and stability of the complex hydrides MgBeH4 and Mg2H4 Journal of Structural Chemistry. 24: 134-136. DOI: 10.1007/Bf00735205 |
0.331 |
|
| 1982 |
Boldyrev A, Solomonik V, Charkin O. Theoretical calculations of the vibrational spectra of the complex LibeF3 molecule Chemical Physics Letters. 86: 51-54. DOI: 10.1016/0009-2614(82)83115-1 |
0.329 |
|
| 1982 |
Gutsev G, Boldyrev A. DVM Xα calculations on the electronic structure of “superalkali” cations Chemical Physics Letters. 92: 262-266. DOI: 10.1016/0009-2614(82)80272-8 |
0.382 |
|
| 1981 |
Gutsev G, Boldyrev A. DVM-Xα calculations on the ionization potentials of MXk+1− complex anions and the electron affinities of MXk+1 “superhalogens” Chemical Physics. 56: 277-283. DOI: 10.1016/0301-0104(81)80150-4 |
0.321 |
|
| 1981 |
Boldyrev A, Sukhanov L, Zakhzevskii V, Charkin O. Theoretical study of structural non-rigidity and non-classical rearrangement of the complex Li2BeH4 molecule Chemical Physics Letters. 79: 421-426. DOI: 10.1016/0009-2614(81)85006-3 |
0.367 |
|
| 1981 |
Kirillov Y, Boldyrev A, Klimenko N, Charkin O. Ab initio calculations of the structure and stability of the LiBe2H5 complex molecule Chemical Physics Letters. 84: 604-608. DOI: 10.1016/0009-2614(81)80417-4 |
0.351 |
|
| 1980 |
Boldyrev A, Sukhanov L, Charkin O. Ab initio calculations of potential energy surfaces for complex formation reactions BeH2 + H− → BeH−3 and BeH2 + LiH → LiBeH3 Chemical Physics. 51: 205-212. DOI: 10.1016/0301-0104(80)80096-6 |
0.303 |
|
| 1980 |
Zakzhevzskii V, Boldyrev A, Charkin O. AB initio calculations of the structure and stability of the non-rigid LiBF4 molecule Chemical Physics Letters. 73: 54-57. DOI: 10.1016/0009-2614(80)85201-8 |
0.367 |
|
| 1980 |
Zakzhevskii V, Boldyrev A, Charkin O. Ab initio investigations of structure and stability of the LiBeF3 molecule Chemical Physics Letters. 70: 147-150. DOI: 10.1016/0009-2614(80)80081-9 |
0.382 |
|
| 1980 |
Boldyrev AI, Charkin OP. ab initio Calculation of potential surfaces and geometry of nonrigid molecules Journal of Structural Chemistry. 20: 838-844. DOI: 10.1007/Bf00753184 |
0.316 |
|
| 1978 |
Boldyrev AI, Charkin OP, Rambidi NG, Avdeev VI. Calculations ab initio of the potential surfaces and geometry of nonrigid molecules III. The nonrigid complex molecule NaBH4 Journal of Structural Chemistry. 19: 179-185. DOI: 10.1007/Bf00746949 |
0.382 |
|
| 1977 |
Boldyrev A, Charkin O, Rambidi N, Avdeev V. Ab initio calculation of the structure of a complex LiBeH3 molecule Chemical Physics Letters. 50: 239-242. DOI: 10.1016/0009-2614(77)80171-1 |
0.377 |
|
| 1977 |
Boldyrev AI, Charkin OP, Rambidi NG, Avdeev VI. AB initio calculations of the potential surfaces and geometry of nonrigid molecules I. The complex molecule LiBH4 Journal of Structural Chemistry. 18: 13-22. DOI: 10.1007/Bf00745421 |
0.31 |
|
| 1976 |
Boldyrev A, Charkin O, Rambidi N, Avdeev V. Ab initio calculation of potential energy surface and geometric structure of the LiBH4 non-rigid complex molecule Chemical Physics Letters. 44: 20-24. DOI: 10.1016/0009-2614(76)80400-9 |
0.369 |
|
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