| Year |
Citation |
Score |
| 2019 |
Otero C, Carreño A, Polanco R, Llancalahuen FM, Arratia-Pérez R, Gacitúa M, Fuentes JA. Rhenium (I) Complexes as Probes for Prokaryotic and Fungal Cells by Fluorescence Microscopy: Do Ligands Matter? Frontiers in Chemistry. 7: 454. PMID 31297366 DOI: 10.3389/Fchem.2019.00454 |
0.322 |
|
| 2019 |
Gam F, Arratia-Perez R, Kahlal S, Saillard JY, Muñoz-Castro A. Potential to stabilize 16-vertex tetrahedral coinage-metal cluster architectures related to Au. Physical Chemistry Chemical Physics : Pccp. PMID 30945710 DOI: 10.1039/C9Cp00639G |
0.593 |
|
| 2019 |
Beltrán-Leiva MJ, Fuenzalida-Valdivia I, Cantero-López P, Bulhões-Figueira A, Alzate-Morales J, Páez-Hernández D, Arratia-Pérez R. Classical and Quantum Mechanical Calculations of the Stacking Interaction of Nd Complexes with Regular and Mismatched DNA Sequences. The Journal of Physical Chemistry. B. PMID 30925049 DOI: 10.1021/Acs.Jpcb.9B00703 |
0.313 |
|
| 2019 |
White FD, Celis-Barros C, Rankin J, Solís-Céspedes E, Dan D, Gaiser AN, Zhou Y, Colangelo J, Páez-Hernández D, Arratia-Pérez R, Albrecht-Schmitt TE. Molecular and Electronic Structure, and Hydrolytic Reactivity of a Samarium(II) Crown Ether Complex. Inorganic Chemistry. PMID 30788962 DOI: 10.1021/Acs.Inorgchem.8B03566 |
0.394 |
|
| 2019 |
Abbas Z, Dasari S, Beltrán-Leiva MJ, Cantero-López P, Páez-Hernández D, Arratia-Pérez R, Butcher RJ, Patra AK. Luminescent europium(iii) and terbium(iii) complexes of β-diketonate and substituted terpyridine ligands: synthesis, crystal structures and elucidation of energy transfer pathways New Journal of Chemistry. 43: 15139-15152. DOI: 10.1039/C9Nj02838B |
0.34 |
|
| 2019 |
Pérez-Zúñiga C, Negrete-Vergara C, Yáñez-S M, Aguirre P, Zúñiga CA, Cantero-López P, Arratia-Pérez R, Moya SA. Catalytic activity of a new Ru(ii) complex for the hydrogen transfer reaction of acetophenone and N-benzylideneaniline: synthesis, characterization and relativistic DFT approaches New Journal of Chemistry. 43: 10545-10553. DOI: 10.1039/C8Nj06250A |
0.328 |
|
| 2019 |
Tirapegui C, Rojas-Poblete M, Arratia-Perez R, Linares-Flores C, Islas R, Schott E, Guajardo-Maturana R. Optical and electronic properties of benzopyrylium derivatives. Theoretical-experimental synergy towards novel DSSCs devices Dyes and Pigments. 161: 370-381. DOI: 10.1016/J.Dyepig.2018.08.044 |
0.324 |
|
| 2019 |
Carreño A, Solís-Céspedes E, Zúñiga C, Nevermann J, Rivera-Zaldívar MM, Gacitúa M, Ramírez-Osorio A, Páez-Hernández D, Arratia-Pérez R, Fuentes JA. Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1,10-phenanthroline Chemical Physics Letters. 715: 231-238. DOI: 10.1016/J.Cplett.2018.11.043 |
0.358 |
|
| 2018 |
Llancalahuen FM, Fuentes JA, Carreño A, Zúñiga C, Páez-Hernández D, Gacitúa M, Polanco R, Preite MD, Arratia-Pérez R, Otero C. New Properties of a Bioinspired Pyridine Benzimidazole Compound as a Novel Differential Staining Agent for Endoplasmic Reticulum and Golgi Apparatus in Fluorescence Live Cell Imaging. Frontiers in Chemistry. 6: 345. PMID 30211148 DOI: 10.3389/Fchem.2018.00345 |
0.323 |
|
| 2018 |
Beltrán-Leiva MJ, Páez-Hernández D, Arratia-Pérez R. Theoretical Determination of Energy Transfer Processes and Influence of Symmetry in Lanthanide(III) Complexes: Methodological Considerations. Inorganic Chemistry. PMID 29693385 DOI: 10.1021/Acs.Inorgchem.8B00159 |
0.382 |
|
| 2018 |
Rädisch T, Harmgarth N, Liebing P, Beltrán-Leiva MJ, Páez-Hernández D, Arratia-Pérez R, Engelhardt F, Hilfert L, Oehler F, Busse S, Edelmann FT. Three new types of transition metal carboranylamidinate complexes. Dalton Transactions (Cambridge, England : 2003). PMID 29675535 DOI: 10.1039/C8Dt01064A |
0.343 |
|
| 2018 |
Celis-Barros C, Páez-Hernández D, Beltrán-Leiva MJ, Arratia-Perez R. Ab initio calculations of heavy-actinide hexahalide compounds: do these heavy actinides behave like their isoelectronic lanthanide analogues? Physical Chemistry Chemical Physics : Pccp. PMID 29354822 DOI: 10.1039/C7Cp06585J |
0.409 |
|
| 2018 |
Montenegro-Pohlhammer N, Páez-Hernández D, Calzado CJ, Arratia-Pérez R. A theoretical study of the super exchange mechanism and magneto-structural relationships in the [Mn(III)2(μ-F)F4(Me3tacn)2](PF6) coordination compound New Journal of Chemistry. 42: 13847-13855. DOI: 10.1039/C8Nj02793E |
0.374 |
|
| 2018 |
Claveria-Cadiz F, Arratia-Perez R, Guajardo-Maturana R, Muñoz-Castro A. Survey of short and long cuprophilic d10–d10 contacts for tetranuclear copper clusters. Understanding of bonding and ligand role from a planar superatom perspective New Journal of Chemistry. 42: 8874-8881. DOI: 10.1039/C8Nj00698A |
0.369 |
|
| 2018 |
Carreño A, Zúñiga C, Páez-Hernández D, Gacitúa M, Polanco R, Otero C, Arratia-Pérez R, Fuentes JA. Study of the structure–bioactivity relationship of three new pyridine Schiff bases: synthesis, spectral characterization, DFT calculations and biological assays New Journal of Chemistry. 42: 8851-8863. DOI: 10.1039/C8Nj00390D |
0.306 |
|
| 2018 |
Cantero-López P, Páez-Hernández D, Arratia-Pérez R. Tuning the molecular antenna effect using donor and acceptor substituents on the optical properties of the [(C5F5)2ThMCp2]2+ and [(C5F5)2ThMCpL2]+ complexes, where M = Fe, Ru and Os and L = CO and C5H5N New Journal of Chemistry. 42: 11013-11022. DOI: 10.1039/C8Nj00179K |
0.359 |
|
| 2018 |
Rojas-Poblete M, Carreño A, Gacitúa M, Páez-Hernández D, Rabanal-León WA, Arratia-Pérez R. Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re6(μ3-Q)8X6]4− clusters New Journal of Chemistry. 42: 5471-5478. DOI: 10.1039/C7Nj05114J |
0.393 |
|
| 2018 |
Gam F, Arratia-Pérez R, Kahlal S, Saillard JY, Muñoz-Castro A. [M16Ni24(CO)40]4–: Coinage Metal Tetrahedral Superatoms as Useful Building Blocks Related to Pyramidal Au20 Clusters (M = Cu, Ag, Au). Electronic and Bonding Properties from Relativistic DFT Calculations Journal of Physical Chemistry C. 122: 4723-4730. DOI: 10.1021/Acs.Jpcc.8B00227 |
0.402 |
|
| 2018 |
Oyarzún DP, Chardon-Noblat S, Linarez Pérez OE, López Teijelo M, Zúñiga C, Zarate X, Schott E, Carreño A, Arratia-Perez R. Comparative study of the anchorage and the catalytic properties of nanoporous TiO2 films modified with ruthenium (II) and rhenium (I) carbonyl complexes Chemical Physics Letters. 694: 40-47. DOI: 10.1016/J.Cplett.2018.01.040 |
0.357 |
|
| 2018 |
Gam F, Arratia-Perez R, Kahlal S, Saillard J, Muñoz-Castro A. Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18-electron W@Au12Ptn(n = 0-4) superatomic clusters from relativistic DFT calculations International Journal of Quantum Chemistry. 119: e25827. DOI: 10.1002/Qua.25827 |
0.413 |
|
| 2017 |
Silver MA, Cary SK, Garza AJ, Baumbach RE, Arico AA, Galmin GA, Chen KW, Johnson JA, Wang JC, Clark RJ, Chemey A, Eaton TM, Marsh ML, Seidler K, Galley SS, ... ... Arratia-Perez R, et al. Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate. Journal of the American Chemical Society. PMID 28817775 DOI: 10.1021/Jacs.7B05569 |
0.409 |
|
| 2017 |
Beltrán-Leiva MJ, Cantero-López P, Zúñiga C, Bulhões-Figueira A, Páez-Hernández D, Arratia-Pérez R. Theoretical Method for an Accurate Elucidation of Energy Transfer Pathways in Europium(III) Complexes with Dipyridophenazine (dppz) Ligand: One More Step in the Study of the Molecular Antenna Effect. Inorganic Chemistry. 56: 9200-9208. PMID 28692259 DOI: 10.1021/Acs.Inorgchem.7B01221 |
0.37 |
|
| 2017 |
Muñoz-Castro AR, Gam F, Paez-Hernandez D, Arratia-Perez R, Liu CW, Kahlal S, Saillard JY. Coinage Metal Superatomic Cores. Insights into their Intrinsic Stability and Optical Properties from Relativistic DFT Calculations. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28628726 DOI: 10.1002/Chem.201701673 |
0.632 |
|
| 2017 |
Carreño A, Aros AE, Otero C, Polanco R, Gacitúa M, Arratia-Pérez R, Fuentes JA. Substituted bidentate and ancillary ligands modulate the bioimaging properties of the classical Re(i) tricarbonyl core with yeasts and bacteria New Journal of Chemistry. 41: 2140-2147. DOI: 10.1039/C6Nj03792E |
0.324 |
|
| 2017 |
Gomez T, Jaramillo F, Schott E, Arratia-Pérez R, Zarate X. Simulation of natural dyes adsorbed on TiO2 for photovoltaic applications Solar Energy. 142: 215-223. DOI: 10.1016/J.Solener.2016.12.023 |
0.398 |
|
| 2017 |
Oyarzún DP, Tello A, Pizarro GdC, Martin-Trasanco R, Zúñiga C, Perez-Donoso JM, Arratia-Perez R. Electrochemical synthesis, optical properties and morphological characterization of ZnO/Poly( N -PhMI- co -HEMA) nanocomposite Journal of Electroanalytical Chemistry. 799: 358-362. DOI: 10.1016/J.Jelechem.2017.06.039 |
0.325 |
|
| 2017 |
Zúñiga C, Oyarzún DP, Martin-Transaco R, Yáñez-S M, Tello A, Fuentealba M, Cantero-López P, Arratia-Pérez R. Synthesis, characterization and relativistic DFT studies of fac-Re(CO)3(isonicotinic acid)2Cl complex Chemical Physics Letters. 688: 66-73. DOI: 10.1016/J.Cplett.2017.09.065 |
0.444 |
|
| 2017 |
Carreño A, Solis-Céspedes E, Páez-Hernández D, Arratia-Pérez R. Exploring the geometrical and optical properties of neutral rhenium (I) tricarbonyl complex of 1,10-phenanthroline-5,6-diol using relativistic methods Chemical Physics Letters. 685: 354-362. DOI: 10.1016/J.Cplett.2017.07.058 |
0.432 |
|
| 2017 |
Cantero-López P, Páez-Hernández D, Arratia-Pérez R. The origin of phosphorescence in Iridium (III) complexes. The role of relativistic effects Chemical Physics Letters. 685: 60-68. DOI: 10.1016/J.Cplett.2017.07.006 |
0.379 |
|
| 2017 |
Páez-Hernández D, Muñoz-Castro A, Arratia-Perez R. Bonding in gold-rare earth [Au2M] (M = Eu, Yb, Lu) ions. A strong covalent gold-lanthanide bond Chemical Physics Letters. 683: 421-424. DOI: 10.1016/J.Cplett.2017.03.074 |
0.36 |
|
| 2017 |
Muñoz-Castro ÁR, Páez-Hernández D, Arratia-Pérez R. Spin-orbit effect into isomerization barrier of small gold Clusters. Oh ↔ D2h Fluxionality of the Au62+ cluster Investigated by relativistic methods Chemical Physics Letters. 683: 404-407. DOI: 10.1016/J.Cplett.2017.02.054 |
0.367 |
|
| 2017 |
Paredes-Gil K, Mendizabal F, Páez-Hernández D, Arratia-Pérez R. Electronic structure and optical properties calculation of Zn-porphyrin with N-annulated perylene adsorbed on TiO2 model for dye-sensitized solar cell applications: A DFT/TD-DFT study Computational Materials Science. 126: 514-527. DOI: 10.1016/J.Commatsci.2016.09.042 |
0.368 |
|
| 2017 |
Linares-Flores C, Arratia-Pérez R, MacLeod Carey D. Chemical reactivity descriptors evaluation for determining catalytic activity, redox potential, and oxygen binding of metallophthalocyanines Chemical Papers. 71: 2185-2194. DOI: 10.1007/S11696-017-0212-X |
0.346 |
|
| 2017 |
Carreño A, Gacitúa M, Molins E, Arratia-Pérez R. X-ray diffraction and relativistic DFT studies on the molecular biomarker fac-Re(CO)3(4,4′-dimethyl-2,2′-bpy)(E-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol)(PF6) Chemical Papers. 71: 2011-2022. DOI: 10.1007/S11696-017-0196-6 |
0.387 |
|
| 2016 |
Rabanal-León WA, Murillo-López JA, Arratia-Pérez R. Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes. Physical Chemistry Chemical Physics : Pccp. PMID 27892559 DOI: 10.1039/C6Cp07001A |
0.419 |
|
| 2016 |
Miranda-Rojas S, Sierra-Rosales P, Muñoz-Castro A, Arratia-Pérez R, Zagal JH, Mendizábal F. Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role. Physical Chemistry Chemical Physics : Pccp. PMID 27747348 DOI: 10.1039/C6Cp06156G |
0.625 |
|
| 2016 |
Inostroza N, Mendizabal F, Arratia-Pérez R, Orellana C, Linares-Flores C. Improvement of photovoltaic performance by substituent effect of donor and acceptor structure of TPA-based dye-sensitized solar cells. Journal of Molecular Modeling. 22: 25. PMID 26744295 DOI: 10.1007/S00894-015-2893-9 |
0.365 |
|
| 2016 |
Carreño A, Gacitúa M, Fuentes JA, Páez-Hernández D, Peñaloza JP, Otero C, Preite M, Molins E, Swords WB, Meyer GJ, Manríquez JM, Polanco R, Chávez I, Arratia-Pérez R. Fluorescence probes for prokaryotic and eukaryotic cells using Re(CO)3+ complexes with an electron withdrawing ancillary ligand New Journal of Chemistry. 40: 7687-7700. DOI: 10.1039/C6Nj00905K |
0.356 |
|
| 2016 |
Miranda-Rojas S, Salazar-Molina R, Kästner J, Arratia-Pérez R, Mendizábal F. Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials Rsc Advances. 6: 4458-4468. DOI: 10.1039/C5Ra21964G |
0.319 |
|
| 2016 |
Carreño A, Gacitúa M, Fuentes JA, Páez-Hernández D, Araneda C, Chávez I, Soto-Arriaza M, Manríquez JM, Polanco R, Mora GC, Otero C, Swords WB, Arratia-Pérez R. Theoretical and experimental characterization of a novel pyridine benzimidazole: Suitability for fluorescence staining in cells and antimicrobial properties New Journal of Chemistry. 40: 2362-2375. DOI: 10.1039/C5Nj02772A |
0.336 |
|
| 2016 |
Clavería-Cádiz F, Arratia-Pérez R, MacLeod-Carey D. Density functional study on Keggin heteropolyanions containing fifth period main group heteroatoms Polyhedron. 117: 478-486. DOI: 10.1016/J.Poly.2016.06.035 |
0.384 |
|
| 2016 |
Carreño A, Schott E, Zarate X, Manriquez JM, Vega JC, Mardones M, Cowley AH, Chavez I, Hinestroza JP, Arratia-Perez R. DFT studies on coordination models for adsorption essays of Cu(II) and Ni(II) solutions in modified silica gel with iminodiacetic groups Chemical Papers. 71: 1019-1030. DOI: 10.1007/S11696-016-0022-6 |
0.352 |
|
| 2015 |
Vásquez-Espinal A, Pino-Rios R, Alvarez-Thon L, Rabanal-León WA, Torres-Vega JJ, Arratia-Perez R, Tiznado W. New Insights into Re3(μ-Cl)3Cl6 Aromaticity. Evidence of σ- and π-Diatropicity. The Journal of Physical Chemistry Letters. 6: 4326-30. PMID 26722969 DOI: 10.1021/Acs.Jpclett.5B01816 |
0.346 |
|
| 2015 |
Cantero-López P, Le Bras L, Páez-Hernández D, Arratia-Pérez R. The role of the [CpM(CO)2](-) chromophore in the optical properties of the [Cp2ThMCp(CO)2](+) complexes, where M = Fe, Ru and Os. A theoretical view. Dalton Transactions (Cambridge, England : 2003). 44: 20004-10. PMID 26523807 DOI: 10.1039/C5Dt03121D |
0.432 |
|
| 2015 |
Rabanal-León WA, Murillo-López JA, Páez-Hernández D, Arratia-Pérez R. Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study. The Journal of Physical Chemistry. A. 119: 9931-40. PMID 26325624 DOI: 10.1021/Acs.Jpca.5B07202 |
0.453 |
|
| 2015 |
Martinez-Ariza G, Ayaz M, Roberts SA, Rabanal-León WA, Arratia-Pérez R, Hulme C. The Synthesis of Stable, Complex Organocesium Tetramic Acids through the Ugi Reaction and Cesium-Carbonate-Promoted Cascades. Angewandte Chemie (International Ed. in English). PMID 26270696 DOI: 10.1002/Anie.201504377 |
0.317 |
|
| 2015 |
Mendizabal F, Lopéz A, Arratia-Pérez R, Inostroza N, Linares-Flores C. Interaction of YD2 and TiO2 in dye-sensitized solar cells (DSSCs): a density functional theory study. Journal of Molecular Modeling. 21: 2771. PMID 26267296 DOI: 10.1007/S00894-015-2771-5 |
0.411 |
|
| 2015 |
Rabanal-León WA, Murillo-López JA, Páez-Hernández D, Arratia-Pérez R. Exploring the nature of the excitation energies in [Re6(μ3-Q8)X6](4-) clusters: a relativistic approach. Physical Chemistry Chemical Physics : Pccp. 17: 17611-7. PMID 26035072 DOI: 10.1039/C5Cp02003D |
0.435 |
|
| 2015 |
Carreño A, Gacitúa M, Páez-Hernández D, Polanco R, Preite M, Fuentes JA, Mora GC, Chávez I, Arratia-Pérez R. Spectral, theoretical characterization and antifungal properties of two phenol derivative Schiff bases with an intramolecular hydrogen bond New Journal of Chemistry. 39: 7822-7831. DOI: 10.1039/C5Nj01469G |
0.317 |
|
| 2015 |
Carreño A, Gacitua M, Schott E, Zarate X, Manriquez JM, Preite M, Ladeira S, Castel A, Pizarro N, Vega A, Chavez I, Arratia-Perez R. Experimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in the rhenium(i) core New Journal of Chemistry. 39: 5725-5734. DOI: 10.1039/C5Nj00772K |
0.368 |
|
| 2015 |
Rabanal-León WA, Martinez-Ariza G, Roberts SA, Hulme C, Arratia-Pérez R. Computational study of organo-cesium complexes and the possibility of lanthanide/actinide ions substitution Chemical Physics Letters. 641: 181-186. DOI: 10.1016/J.Cplett.2015.10.048 |
0.344 |
|
| 2015 |
Linares-Flores C, Mendizabal F, Arratia-Pérez R, Inostroza N, Orellana C. Substituents role in zinc phthalocyanine derivatives used as dye-sensitized solar cells. A theoretical study using Density Functional Theory Chemical Physics Letters. 639: 172-177. DOI: 10.1016/J.Cplett.2015.09.025 |
0.383 |
|
| 2015 |
Mendizabal F, Lopéz A, Arratia-Pérez R, Zapata-Torres G. Interaction of LD14 and TiO2 in dye-sensitized solar-cells (DSSC): A density functional theory study Computational and Theoretical Chemistry. 1070: 117-125. DOI: 10.1016/J.Comptc.2015.08.005 |
0.391 |
|
| 2014 |
Rabanal-León WA, Páez-Hernández D, Arratia-Pérez R. Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule. Physical Chemistry Chemical Physics : Pccp. 16: 25978-88. PMID 25357209 DOI: 10.1039/C4Cp03882G |
0.445 |
|
| 2014 |
Rabanal-León WA, Murillo-López JA, Páez-Hernández D, Arratia-Pérez R. Understanding the influence of terminal ligands on the electronic structure and bonding nature in [Re6(μ3-Q8)](2+) clusters. The Journal of Physical Chemistry. A. 118: 11083-9. PMID 25347816 DOI: 10.1021/Jp508892R |
0.447 |
|
| 2014 |
Hu K, Robson KC, Beauvilliers EE, Schott E, Zarate X, Arratia-Perez R, Berlinguette CP, Meyer GJ. Intramolecular and lateral intermolecular hole transfer at the sensitized TiO2 interface. Journal of the American Chemical Society. 136: 1034-46. PMID 24367914 DOI: 10.1021/Ja410647C |
0.306 |
|
| 2014 |
McTiernan CD, Alarcon EI, Hallett-Tapley GL, Murillo-Lopez J, Arratia-Perez R, Netto-Ferreira JC, Scaiano JC. Electron transfer from the benzophenone triplet excited state directs the photochemical synthesis of gold nanoparticles. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 13: 149-53. PMID 24166537 DOI: 10.1039/C3Pp50247C |
0.302 |
|
| 2014 |
Gomez T, Zarate X, Schott E, Arratia-Perez R. Role of the main adsorption modes in the interaction of the dye [COOH–TPP-Zn(ii)] on a periodic TiO2 slab exposing a rutile (110) surface in a dye-sentized solar cell Rsc Advances. 4: 9639. DOI: 10.1039/C3Ra47067A |
0.353 |
|
| 2014 |
Hu K, Severin HA, Koivisto BD, Robson KCD, Schott E, Arratia-Perez R, Meyer GJ, Berlinguette CP. Direct spectroscopic evidence for constituent heteroatoms enhancing charge recombination at a TiO2-ruthenium dye interface Journal of Physical Chemistry C. 118: 17079-17089. DOI: 10.1021/Jp500879P |
0.33 |
|
| 2014 |
Morales-Verdejo C, Martínez-Díaz I, Adams C, Araneda JF, Oehninger L, Mac-Leod Carey D, Muñoz-Castro A, Arratia-Pérez R, Chávez I, Manríquez JM. New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex Polyhedron. 69: 15-24. DOI: 10.1016/J.Poly.2013.11.023 |
0.334 |
|
| 2014 |
Linares-Flores C, Espinoza-Vergara J, Zagal J, Arratia-Perez R. Reactivity trends of Fe phthalocyanines confined on graphite electrodes in terms of donor–acceptor intermolecular hardness: Linear versus volcano correlations Chemical Physics Letters. 614: 176-180. DOI: 10.1016/J.Cplett.2014.09.033 |
0.31 |
|
| 2013 |
Miranda-Rojas S, Muñoz-Castro A, Arratia-Pérez R, Mendizábal F. Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111). Physical Chemistry Chemical Physics : Pccp. 15: 20363-70. PMID 24173319 DOI: 10.1039/C3Cp53591F |
0.632 |
|
| 2013 |
Ferraro F, Páez-Hernández D, Murillo-López JA, Muñoz-Castro A, Arratia-Pérez R. Antenna effect by organometallic chromophores in bimetallic d-f complexes. The Journal of Physical Chemistry. A. 117: 7847-54. PMID 23879177 DOI: 10.1021/Jp406208E |
0.638 |
|
| 2013 |
Zarate X, Schott E, Gomez T, Arratia-Pérez R. Theoretical study of sensitizer candidates for dye-sensitized solar cells: peripheral substituted dizinc pyrazinoporphyrazine-phthalocyanine complexes. The Journal of Physical Chemistry. A. 117: 430-8. PMID 23273172 DOI: 10.1021/Jp3067316 |
0.416 |
|
| 2013 |
MIRANDA-BARRIENTOS F, MUÑOZ-CASTRO A, ARRATIA-PÉREZ R, MACLEOD CAREY D. THEORETICAL CALCULATIONS OF AN OSMIUM MOLECULAR SWITCH Journal of the Chilean Chemical Society. 58: 2110-2113. DOI: 10.4067/S0717-97072013000400046 |
0.375 |
|
| 2013 |
RABANAL-LEÓN WA, ARRATIA-PÉREZ R. RELATIVISTIC-DFT STUDY OF THE ELECTRONIC STRUCTURE, BONDING AND ENERGETIC OF THE [ReF8]־ AND [UF8]2- IONS Journal of the Chilean Chemical Society. 58: 2020-2024. DOI: 10.4067/S0717-97072013000400025 |
0.413 |
|
| 2013 |
Schott E, Zarate X, MacLeod-Carey D, Arratia-Perez R, Bustos C. Substituents effect on the electronic structure and molecular properties of bis[organohydrazido(2−)] molybdenum(VI) complexes Polyhedron. 61: 27-32. DOI: 10.1016/J.Poly.2013.05.022 |
0.424 |
|
| 2013 |
Zarate X, Schott E, Arratia-Pérez R. Effects of the peripheral substituents (–NH2, –OH, –CH3, –H, –C6H5, –Cl, –CO2H and –NO2) on molecular properties of a Ni-Porphyrazine dimers family Polyhedron. 50: 131-138. DOI: 10.1016/J.Poly.2012.10.041 |
0.408 |
|
| 2013 |
Oehninger L, Araneda JF, Morales-Verdejo C, Muñoz-Castro A, Mac-Leod Carey D, Adams C, Arratia-Pérez R, Rojas R, Manríquez JM, Chávez I. Novel titanocene derived from a partially alkylated s-indacene: Synthesis, characterization and comparative study with its zirconium analog Inorganica Chimica Acta. 396: 35-39. DOI: 10.1016/J.Ica.2012.09.032 |
0.4 |
|
| 2013 |
Morales-Verdejo C, Oehninger L, Martínez-Díaz I, Mac-Leod Carey D, Arratia-Pérez R, Chávez I, Manríquez JM. A new heterobimetallic manganese–rhodium carbonyl complex derived from partially alkylated s-indacene Inorganica Chimica Acta. 394: 132-139. DOI: 10.1016/J.Ica.2012.08.010 |
0.355 |
|
| 2013 |
Schott E, Zarate X, Arratia-Perez R. Molecular properties of two related families of substituted [Ru(2,2′:6′,2″-Terpyridine)2]2+ for application as sensitizers in dye-sensitized solar cells Dyes and Pigments. 97: 455-461. DOI: 10.1016/J.Dyepig.2013.01.006 |
0.378 |
|
| 2012 |
Oviedo MB, Zarate X, Negre CF, Schott E, Arratia-Pérez R, Sánchez CG. Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO2 Solar Cells. The Journal of Physical Chemistry Letters. 3: 2548-55. PMID 26295873 DOI: 10.1021/Jz300880D |
0.308 |
|
| 2012 |
Trujillo A, Fuentealba M, Arratia-Perez R, Howard JA. trans-Bis[1,2-bis-(diphenyl-phosphan-yl)ethane]-chlorido(ethyn-yl)ruthenium(II). Acta Crystallographica. Section E, Structure Reports Online. 68: m1445. PMID 23468677 DOI: 10.1107/S1600536812044558 |
0.331 |
|
| 2012 |
Páez-Hernández D, Arratia-Pérez R. Aromaticity, optical properties and zero field splitting of homo- and hetero-bimetallic (C8H8)M(μ2-,η8═C8H8)M(C8H8) where M = Ti, Zr, Th Complexes. The Journal of Physical Chemistry. A. 116: 7584-92. PMID 22721416 DOI: 10.1021/Jp3039576 |
0.417 |
|
| 2012 |
Schott E, Zarate X, Arratia-Perez R. Substituents effects on two related families of dyes for dye sensitized solar cells: [Ru(4,4'-R,R-2,2'-bpy)(3)]2+ and [Ru(4,4'-COOH-2,2'-bpy)(4,4'-R,R-2,2'-bpy)(2)]2+. The Journal of Physical Chemistry. A. 116: 7436-42. PMID 22691087 DOI: 10.1021/Jp303497H |
0.412 |
|
| 2012 |
Ferraro F, Barboza CA, Arratia-Pérez R. A relativistic study of the electronic and magnetic properties of cerocene and thorocene and its anions. The Journal of Physical Chemistry. A. 116: 4170-5. PMID 22475212 DOI: 10.1021/Jp212130Q |
0.43 |
|
| 2012 |
Muñoz-Castro A, Arratia-Perez R. Spin-orbit effects on a gold-based superatom: a relativistic Jellium model. Physical Chemistry Chemical Physics : Pccp. 14: 1408-11. PMID 22158782 DOI: 10.1039/C1Cp22420D |
0.619 |
|
| 2012 |
Páez-Hernández D, Murillo-López JA, Arratia-Pérez R. Optical and Magnetic Properties of the Complex Bis(dicyclooctatetraenyl)diuranium. A Theoretical View Organometallics. 31: 6297-6304. DOI: 10.1021/Om300560H |
0.418 |
|
| 2012 |
Linares-Flores C, Mac-Leod Carey D, Muñoz-Castro A, Zagal JH, Pavez J, Pino-Riffo D, Arratia-Pérez R. Reinterpreting the Role of the Catalyst Formal Potential. The case of Thiocyanate Electrooxidation Catalyzed by CoN4-Macrocyclic Complexes The Journal of Physical Chemistry C. 116: 7091-7098. DOI: 10.1021/Jp300764N |
0.336 |
|
| 2012 |
Muñoz-Castro A, Carey DM, Arratia-Perez R, Malli GL. Relativistic effects in bonding and isomerization energy of the superheavy roentgenium (111Rg) cyanide Polyhedron. 39: 113-117. DOI: 10.1016/J.Poly.2012.03.032 |
0.659 |
|
| 2012 |
Schott E, Zarate X, Arratia-Pérez R. Electronic structure and molecular properties of paramagnetic hexanuclear Tantalum [Ta6X12Y6]3− (X and Y = F, Cl, Br, I) cluster compounds Polyhedron. 36: 127-132. DOI: 10.1016/J.Poly.2012.02.011 |
0.461 |
|
| 2012 |
Zarate X, Schott E, Ramirez-Tagle R, MacLeod-Carey D, Arratia-Pérez R. Photophysical properties of [Cu(binap)2]+ and [Pd(binap)2] complexes: A theoretical study Polyhedron. 37: 54-59. DOI: 10.1016/J.Poly.2012.02.009 |
0.397 |
|
| 2012 |
Páez-Hernández D, Arratia-Pérez R. Charge transfer effects on the paramagnetic properties of the [M(C8H8)2] and M(C5H5)(C8H8); M=Ti, Zr, Hf and Th, complexes Polyhedron. 36: 69-72. DOI: 10.1016/J.Poly.2012.01.020 |
0.36 |
|
| 2012 |
MacLeod Carey D, Adams C, Muñoz-Castro A, Morales-Verdejo C, Araneda J, Chavez I, Manríquez J, Castel A, Rivière P, Rivière-Baudet M, Matioszek D, Septelean R, Martinez I, Arratia-Pérez R. A new method to radical anions derived from s-Indacene organobimetallic complexes, their ESR characterization Inorganica Chimica Acta. 392: 154-159. DOI: 10.1016/J.Ica.2012.05.033 |
0.354 |
|
| 2012 |
Ferraro F, Arratia-Pérez R. Bonding, energetic, electronic delocalization and optical properties of MCp 3 complexes, where M = Sc, Y, La, Ac, Lu, Ce, Yb and Th Chemical Physics Letters. 554: 219-224. DOI: 10.1016/J.Cplett.2012.10.020 |
0.411 |
|
| 2012 |
Alvarado-Soto L, Schott V E, Zarate X, Arratia-Pérez R, Ramirez-Tagle R. The aromaticity of the [Re3(μ-X)3X9]3− clusters, X=Cl, Br, I Chemical Physics Letters. 545: 50-53. DOI: 10.1016/J.Cplett.2012.07.033 |
0.331 |
|
| 2012 |
Barboza CA, Barboza E, Arratia-Perez R, Carey DM. Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives Chemical Physics Letters. 545: 88-94. DOI: 10.1016/J.Cplett.2012.07.031 |
0.351 |
|
| 2012 |
Barboza CA, Arratia-Pérez R, Carey DM. Theoretical study of 3,3′ substitution of 9,9,9′,9′-tetramethyl-fluorene-dimers Chemical Physics Letters. 538: 67-71. DOI: 10.1016/J.Cplett.2012.03.075 |
0.393 |
|
| 2012 |
Barboza CA, Vazquez PAM, Carey DM, Arratia-Perez R. A TD‐DFT basis set and density functional assessment for the calculation of electronic excitation energies of fluorene International Journal of Quantum Chemistry. 112: 3434-3438. DOI: 10.1002/Qua.24300 |
0.37 |
|
| 2011 |
Ramírez-Tagle R, Alvarado-Soto L, Arratia-Perez R, Bast R, Alvarez-Thon L. Probing the aromaticity of the [(H(t)Ac)3(μ2-H)6], [(H(t)Th)3(μ2-H)6],(+), and [(H(t)Pa)3(μ2-H)6] clusters. The Journal of Chemical Physics. 135: 104506. PMID 21932909 DOI: 10.1063/1.3632056 |
0.33 |
|
| 2011 |
Páez-Hernández D, Murillo-López JA, Arratia-Pérez R. Bonding nature and electron delocalization of An(COT)2, An = Th, Pa, U. The Journal of Physical Chemistry. A. 115: 8997-9003. PMID 21755962 DOI: 10.1021/Jp203832M |
0.427 |
|
| 2011 |
Tu X, Truong H, Alster E, Muñoz-Castro A, Arratia-Pérez R, Nichol GS, Zheng Z. Geometrically specific imino complexes of the [Re6(μ3-Se)8]2+ core-containing clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 580-7. PMID 21207576 DOI: 10.1002/Chem.201001975 |
0.613 |
|
| 2011 |
Garland MT, Kahlal S, Carey DML, Arratia-Pérez R, Manríquez JM, Saillard JY. Electronic structure and metal–metal communication in (CpM)2(as-indacene) and (CpM)2(s-indacene) (M = Mn, Fe, Co, Ni) complexes: a DFT investigation New Journal of Chemistry. 35: 2136-2145. DOI: 10.1039/C1Nj20240E |
0.335 |
|
| 2011 |
Ponce I, Silva JF, Oñate R, Miranda-Rojas S, Muñoz-Castro A, Arratia-Pérez R, Mendizabal F, Zagal JH. Theoretical and experimental study of bonding and optical properties of self-assembly metallophthalocyanines complexes on a gold surface. A survey of the substrate-surface interaction Journal of Physical Chemistry C. 115: 23512-23518. DOI: 10.1021/Jp208734F |
0.321 |
|
| 2011 |
Pop LC, Carey DM, Muñoz-Castro A, Silaghi-Dumitrescu L, Castel A, Arratia-Pérez R. Relativistic calculations of aminotroponiminate complexes containing group 15 (p, as, sb, bi) elements Polyhedron. 30: 841-845. DOI: 10.1016/J.Poly.2010.12.023 |
0.43 |
|
| 2011 |
Schott E, Zárate X, Arratia-Pérez R. Relativistic scalar and spin–orbit density functional calculations of the electronic structure, NICS index and ELF function of the [Re2(CO)8(μ-BiPh)2] and [Re2(CO)8(μ-BiPh2)2] clusters Polyhedron. 30: 846-850. DOI: 10.1016/J.Poly.2010.12.022 |
0.421 |
|
| 2011 |
Ferraro F, Arratia-Pérez R. Spin–orbit effects on the optical and magnetic properties of cerium (III) hexahalides Polyhedron. 30: 860-863. DOI: 10.1016/J.Poly.2010.12.020 |
0.421 |
|
| 2011 |
Hurtado J, Ugarte J, Rojas R, Valderrama M, Mac-Leod Carey D, Muñoz-Castro A, Arratia-Pérez R, Fröhlich R. New bis(azolylcarbonyl)pyridine chromium(III) complexes as initiators for ethylene polymerization Inorganica Chimica Acta. 378: 218-223. DOI: 10.1016/J.Ica.2011.08.065 |
0.377 |
|
| 2010 |
Van N, Tiritiris I, Winter RF, Sarkar B, Singh P, Duboc C, Muñoz-Castro A, Arratia-Pérez R, Kaim W, Schleid T. Oxidative perhydroxylation of [closo-B12H12]2- to the stable inorganic cluster redox system [B12(OH)12](2-/*-): experiment and theory. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 11242-5. PMID 20726020 DOI: 10.1002/Chem.201001374 |
0.531 |
|
| 2010 |
Sierra D, Klahn AH, Ramirez-Tagle R, Arratia-Perez R, Godoy F, Teresa Garland M, Fuentealba M. Heterobimetallic Re=Pd complexes bridged by eta(1):eta(5)-Ph(2)PC(5)H(4) ligand. Synthesis, electronic and crystal structure of (CO)(2)(PR(3))(eta(5)-C(5)H(4)PPh(2))Re-PdCl(2), R = Me and OMe. Dalton Transactions (Cambridge, England : 2003). 39: 6295-301. PMID 20523920 DOI: 10.1039/B927265H |
0.345 |
|
| 2010 |
Muñoz-Castro A, Mac-Leod Carey D, Arratia-Pérez R. Spin-orbit effects on electronic delocalization. Aromaticity in a discrete square tetrapalladium sandwich complex. The Journal of Chemical Physics. 132: 164308. PMID 20441276 DOI: 10.1063/1.3382340 |
0.379 |
|
| 2010 |
Chauhan RS, Kedarnath G, Wadawale A, Muñoz-Castro A, Arratia-Perez R, Jain VK, Kaim W. Tellurium(0) as a ligand: synthesis and characterization of 2-pyridyltellurolates of platinum(II) and structures of [Pt{2-Te-3-(R)C5H3N}2Te(PR'3)] (R = H or Me). Inorganic Chemistry. 49: 4179-85. PMID 20369824 DOI: 10.1021/Ic902347S |
0.584 |
|
| 2010 |
Muñoz-Castro A, Mac-Leod Carey D, Morales-Verdejo C, Chávez I, Manríquez JM, Arratia-Pérez R. Toward the synthetic control of the HOMO-LUMO gap in binuclear systems: insights from density functional calculations. Inorganic Chemistry. 49: 4175-8. PMID 20349998 DOI: 10.1021/Ic902326Y |
0.631 |
|
| 2010 |
Muñoz-Castro A, Arratia-Pérez R. Electronic delocalization, energetics, and optical properties of tripalladium ditropylium halides, [Pd(3)(C(7)H(7))(2)X(3)](1-) (X = Cl(-), Br(-), and I(-)). The Journal of Physical Chemistry. A. 114: 5217-21. PMID 20302315 DOI: 10.1021/Jp101038U |
0.339 |
|
| 2010 |
Muñoz-Castro A, Mac-Leod Carey D, Arratia-Pérez R. Inside a superatom: the M7q (M=Cu, Ag, q=1+, 0, 1-) case. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 646-50. PMID 20077458 DOI: 10.1002/cphc.200900714 |
0.599 |
|
| 2010 |
Tu X, Boroson E, Truong H, Muñoz-Castro A, Arratia-Pérez R, Nichol GS, Zheng Z. Cluster-bound nitriles do not click with organic azides: unexpected formation of imino complexes of the [Re(6)(mu(3)-Se)(8)](2+) core-containing clusters. Inorganic Chemistry. 49: 380-2. PMID 20000777 DOI: 10.1021/Ic902251Z |
0.632 |
|
| 2010 |
Muñoz-Castro A, Macleod Carey D, Arratia-Pérez R. Calculated molecular properties of triangular tribenzo and perfluoro-tribenzo trimercuronin macrocycles. The Journal of Physical Chemistry. A. 114: 666-72. PMID 19916552 DOI: 10.1021/Jp908493R |
0.647 |
|
| 2010 |
Ramírez-Tagle R, Alvarado-Soto L, Hernández-Acevedo L, Arratia-Pérez R. SPIN-ORBIT AND SOLVENT EFFECTS IN THE LUMINESCENT [Re6Q8(NCS)6]4-, Q=S, Se, Te CLUSTERS: MOLECULAR SENSORS AND MOLECULAR DEVICES Journal of the Chilean Chemical Society. 55. DOI: 10.4067/S0717-97072010000100010 |
0.432 |
|
| 2010 |
Zárate X, Schott E, Mac-Leod Carey D, Bustos C, Arratia-Pérez R. DFT study on the electronic structure, energetics and spectral properties of several bis(organohydrazido(2-)) molybdenum complexes containing substituted phosphines and chloro atoms as ancillary ligands Journal of Molecular Structure: Theochem. 957: 126-132. DOI: 10.1016/J.Theochem.2010.07.021 |
0.481 |
|
| 2010 |
Mac-Leod Carey D, Morales-Verdejo C, Muñoz-Castro A, Burgos F, Abril D, Adams C, Molins E, Cador O, Chávez I, Manríquez J, Arratia-Pérez R, Saillard J. [Cp*Ru(s-indacene)RuCp*] and [Cp*Ru(s-indacene)RuCp*]+: Experimental and theoretical findings concerning the electronic structure of neutral and mixed valence organometallic systems Polyhedron. 29: 1137-1143. DOI: 10.1016/J.Poly.2009.12.002 |
0.449 |
|
| 2010 |
Páez-Hernández D, Ramírez-Tagle R, Codorniu-Hernández E, Montero-Cabrera LA, Arratia-Pérez R. Quantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes Polyhedron. 29: 975-984. DOI: 10.1016/J.Poly.2009.11.019 |
0.439 |
|
| 2010 |
Muñoz-Castro A, Mac-Leod Carey D, Arratia-Pérez R. Relativistic electronic structure of cadmium(II) multidecker phthalocyanine compounds Polyhedron. 29: 451-455. DOI: 10.1016/J.Poly.2009.06.038 |
0.39 |
|
| 2009 |
Alvarado-Soto L, Ramírez-Tagle R, Arratia-Pérez R. Spin-orbit effects on the aromaticity of the Re3X9(2-) (X = Cl, Br) cluster ions. The Journal of Physical Chemistry. A. 113: 1671-3. PMID 19209896 DOI: 10.1021/Jp8100909 |
0.373 |
|
| 2009 |
Muñoz-Castro A, Carey DM, Arratia-Pérez R. Electronic structure and molecular properties of binuclear group VII pentalene metal carbonyl complexes [C8H6{M(CO3)}2] (M = Mn, Tc, Re, Bh): A relativistic density functional theory study Polyhedron. 28: 1561-1567. DOI: 10.1016/J.Poly.2009.03.016 |
0.434 |
|
| 2009 |
Hurtado J, Carey DM, Muñoz-Castro A, Arratia-Pérez R, Quijada R, Wu G, Rojas R, Valderrama M. Chromium(III) complexes with terdentate 2,6-bis(azolylmethyl)pyridine ligands: Synthesis, structures and ethylene polymerization behavior Journal of Organometallic Chemistry. 694: 2636-2641. DOI: 10.1016/J.Jorganchem.2009.04.014 |
0.38 |
|
| 2009 |
Ramirez-Tagle R, Arratia-Pérez R. Pyridine as axial ligand on the [Mo6Cl8]4+ core switches off luminescence Chemical Physics Letters. 475: 232-234. DOI: 10.1016/J.Cplett.2009.05.053 |
0.412 |
|
| 2009 |
Muñoz-Castro A, Mac-Leod Carey D, Arratia-Pérez R. Electronic structure, molecular properties and electronic currents of the luminescent [Au3(CH3NCOCH3)3] cluster Chemical Physics Letters. 474: 290-293. DOI: 10.1016/J.Cplett.2009.04.068 |
0.462 |
|
| 2008 |
Orto PJ, Nichol GS, Okumura N, Evans DH, Arratia-Pérez R, Ramirez-Tagle R, Wang R, Zheng Z. Cluster carbonyls of the [Re(6)(mu(3)-Se)(8)](2+) core: synthesis, structural characterization, and computational analysis. Dalton Transactions (Cambridge, England : 2003). 4247-53. PMID 18682863 DOI: 10.1039/B806973E |
0.41 |
|
| 2008 |
Alvarez-Thon L, David J, Arratia-Pérez R, Seppelt K. Ground state of octahedral platinum hexafluoride Physical Review A. 77: 34502. DOI: 10.1103/Physreva.77.034502 |
0.411 |
|
| 2008 |
Alvarado-Soto L, Ramírez-Tagle R, Arratia-Pérez R. Spin-orbit effects on the aromaticity of the Re3Cl9 and Re3Br9 clusters Chemical Physics Letters. 467: 94-96. DOI: 10.1016/J.Cplett.2008.11.020 |
0.432 |
|
| 2008 |
Ramirez-Tagle R, Arratia-Pérez R. Electronic structure and molecular properties of the [Mo6X8L6]2−; X = Cl, Br, I; L = F, Cl, Br, I clusters Chemical Physics Letters. 460: 438-441. DOI: 10.1016/J.Cplett.2008.06.035 |
0.404 |
|
| 2008 |
Ramirez-Tagle R, Arratia-Pérez R. The luminescent [Mo6X8(NCS)6]2− (X=Cl, Br, I) clusters?: A computational study based on time-dependent density functional theory including spin–orbit and solvent-polarity effects Chemical Physics Letters. 455: 38-41. DOI: 10.1016/J.Cplett.2008.02.037 |
0.44 |
|
| 2008 |
Ramírez-Tagle R, Arratia-Pérez R. Electronic Structure and Molecular Properties of the Mixed Rhenium–Molybdenum [Re6−x Mo x S8(CN)6]q−, (x = 0 to 6) Clusters Journal of Cluster Science. 20: 159-164. DOI: 10.1007/S10876-008-0213-6 |
0.366 |
|
| 2007 |
Carey DM, Muñoz-Castro A, Bustos CJ, Manríquez JM, Arratia-Pérez R. Pi-donor/acceptor effect on Lindqvist type polyoxomolibdates because of various multiple-bonded nitrogenous ligands. The Journal of Physical Chemistry. A. 111: 6563-7. PMID 17595070 DOI: 10.1021/Jp0727594 |
0.642 |
|
| 2006 |
Arratia-Pérez R, Malli GL. Relativistic molecular orbital study of the optical and magnetic properties of hexachloro protactinate (IV): PaCl6(2-). The Journal of Chemical Physics. 124: 74321. PMID 16497050 DOI: 10.1063/1.2173251 |
0.663 |
|
| 2006 |
David J, Mendizábal F, Arratia-Pérez R. Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)7]3- and [Re(CN)7]4- complexes. The Journal of Physical Chemistry. A. 110: 1072-7. PMID 16420010 DOI: 10.1021/Jp055884T |
0.443 |
|
| 2006 |
David J, Mendizábal F, Arratia-Pérez R. Electronic structure and molecular properties of the octacyanorhenate [Re(CN)8]3− and [Re(CN)8]2− complexes Chemical Physics Letters. 422: 89-94. DOI: 10.1016/J.Cplett.2006.02.052 |
0.386 |
|
| 2004 |
Arratia-Pérez R, Hernandez-Acevedo L, Malli GL. Calculated optical and magnetic properties of hexafluorouranate (V) anion: UF- 6. The Journal of Chemical Physics. 121: 7743-7. PMID 15485235 DOI: 10.1063/1.1799891 |
0.658 |
|
| 2004 |
Henández-Acevedo L, Arratia-Pérez R. Spin-Orbit Effects Metal-Metal-Multiple Bonded M2X2 Halide Complexes Journal of the Chilean Chemical Society. 49: 361-365. DOI: 10.4067/S0717-97072004000400017 |
0.385 |
|
| 2004 |
Arratia-Pérez R, Alvarez-Thon L, Fuentealba P. Calculated geometry and paramagnetic hyperfine structure of the Cu7 cluster Chemical Physics Letters. 397: 408-411. DOI: 10.1016/J.Cplett.2004.08.139 |
0.381 |
|
| 2004 |
Muraña RS, Hernandez-Acevedo L, Arratia-Pérez R. Electronic structure and bonding of the [W6S8(CN)6]6− cluster anion Chemical Physics Letters. 393: 277-281. DOI: 10.1016/J.Cplett.2004.06.059 |
0.4 |
|
| 2003 |
Hernández-Acevedoa L, Arratia-Pérez R. RELATIVISTIC ELECTRONIC STRUCTURE OF MOLECULARPRECURSORS: THE CASE OF THE [RE6Q8(CN)6(4)- /RE6Q8(CN)6³- ] (Q = S, Se) REDOX COUPLES Journal of the Chilean Chemical Society. 48: 125-128. DOI: 10.4067/S0717-97072003000400020 |
0.306 |
|
| 2003 |
Arratia-Pérez R, Hernández-Acevedo L. Calculated paramagnetic resonance parameters (g,A[sub hfi]) of the Re[sub 6]S[sub 8]Br[sub 6][sup 3−], Re[sub 6]S[sub 8]I[sub 6][sup 3−], and Re[sub 6]Se[sub 8]I[sub 6][sup 3−] cluster ions The Journal of Chemical Physics. 118: 7425. DOI: 10.1063/1.1561851 |
0.37 |
|
| 2001 |
Alvarez-Thon L, Hernández-Acevedo L, Arratia-Pérez R. Calculated paramagnetic resonance parameters of the luminescent Re6S8Cl63− cluster ion The Journal of Chemical Physics. 115: 726-730. DOI: 10.1063/1.1379970 |
0.448 |
|
| 1999 |
Arratia-Pérez R, Hernández-Acevedo L. The Re6Se8Cl64− and Re6Se8I64− cluster ions: Another example of luminescent clusters? The Journal of Chemical Physics. 111: 168-172. DOI: 10.1063/1.479263 |
0.389 |
|
| 1999 |
Arratia-Pérez R, Hernández-Acevedo L, Weiss-López B. Calculated Paramagnetic Properties Of The Acute Gaas2 And Obtuse Ga2As Clusters Journal of Chemical Physics. 110: 10882-10887. DOI: 10.1063/1.479028 |
0.41 |
|
| 1999 |
Arratia-Pérez R, Hernández-Acevedo L. The hexanuclear rhenium cluster ions Re6S8X64− (X=Cl, Br, I): Are these clusters luminescent? The Journal of Chemical Physics. 110: 2529-2532. DOI: 10.1063/1.477958 |
0.401 |
|
| 1999 |
Arratia-Pérez R, Hernández-Acevedo L. Relativistic electronic structure of an icosahedral Au12Pd cluster Chemical Physics Letters. 303: 641-648. DOI: 10.1016/S0009-2614(99)00271-7 |
0.35 |
|
| 1998 |
Arratia-Pérez R, Hernández-Acevedo L. Calculated paramagnetic resonance parameters of a gallium arsenide cluster: Ga2As3 The Journal of Chemical Physics. 109: 3497-3500. DOI: 10.1063/1.476944 |
0.379 |
|
| 1998 |
Arratia-Pérez R, Hernández-Acevedo L, Alvarez-Thon L. Calculated paramagnetic hyperfine structure of pentagonal bipyramid Ag7 cluster Journal of Chemical Physics. 108: 5795-5798. DOI: 10.1063/1.475990 |
0.408 |
|
| 1997 |
Arratia-Pérez R, Hernández-Acevedo L. A Dirac molecular orbital study for hexanuclear tungsten cluster structures Chemical Physics Letters. 277: 223-226. DOI: 10.1016/S0009-2614(97)00939-1 |
0.392 |
|
| 1996 |
Arratia-Pérez R, Hernández-Acevedo L. A Dirac molecular orbital study for the tetragonal compression in the RuY6I122− cluster Chemical Physics Letters. 255: 217-222. DOI: 10.1016/0009-2614(96)00360-0 |
0.403 |
|
| 1995 |
Arratia-Pérez R, Hernández-Acevedo L. A Dirac molecular orbital study for encapsulated heavy transition metals within ytrium cluster iodides Chemical Physics Letters. 247: 163-167. DOI: 10.1016/0009-2614(95)01180-8 |
0.422 |
|
| 1995 |
Arratia-Pérez R, Hernández-Acevedo L, Gómez-Jeria JS. Calculated paramagnetic properties of matrix isolated Au3 cluster Chemical Physics Letters. 236: 37-42. DOI: 10.1016/0009-2614(95)00000-T |
0.39 |
|
| 1994 |
Bravo-Vasquez JP, Arratia-Perez R. Calculated Paramagnetic Hyperfine Structure of the C2v Isomers of Ag3 The Journal of Physical Chemistry. 98: 5627-5631. DOI: 10.1021/J100073A009 |
0.314 |
|
| 1993 |
Arratia-Pérez R, Hernández-Acevedo L. Spin—orbit effects on heavy metal octahedral clusters Journal of Molecular Structure-Theochem. 282: 131-141. DOI: 10.1016/0166-1280(93)85043-X |
0.394 |
|
| 1993 |
Arratia-Pérez R. The M6S8L6 clusters: an example in cluster and condensed phase chemistry Chemical Physics Letters. 213: 547-553. DOI: 10.1016/0009-2614(93)89158-E |
0.43 |
|
| 1993 |
Arratia-Pérez R. Spin-orbit effects on RuO4 and OsO4 Chemical Physics Letters. 203: 409-414. DOI: 10.1016/0009-2614(93)85590-K |
0.322 |
|
| 1991 |
Arratia-Perez R. Relativistic electronic structure of staggered and eclipsed conformations of octachlorodiosmate(III) The Journal of Physical Chemistry. 95: 7239-7244. DOI: 10.1021/J100172A027 |
0.336 |
|
| 1989 |
Arratia-Perez R, Ramos AF, Malli GL. Calculated electronic structure of Au13 clusters. Physical Review. B, Condensed Matter. 39: 3005-3009. PMID 9948594 DOI: 10.1103/Physrevb.39.3005 |
0.417 |
|
| 1988 |
Arratia-Perez R, Marynick DS. Paramagnetic resonance hyperfine structure of hexachloroprotactinate(IV). Physical Review B. 37: 4893-4899. PMID 9943660 DOI: 10.1103/Physrevb.37.4893 |
0.528 |
|
| 1987 |
Ramos AF, Arratia-Perez R, Malli GL. Dirac scattered-wave calculations on an icosahedral Au13 cluster. Physical Review. B, Condensed Matter. 35: 3790-3798. PMID 9941900 DOI: 10.1103/Physrevb.35.3790 |
0.315 |
|
| 1987 |
Arratia-Perez R, Axe FU, Marynick DS. Geometry, bonding and optical and magnetic properties of copper tricarbonyl: a theoretical study The Journal of Physical Chemistry. 91: 5177-5183. DOI: 10.1021/J100304A011 |
0.553 |
|
| 1986 |
Zuloaga F, Arratia-Perez R. Multiple scattered wave study of the relativistic and nonrelativistic electronic structure and bonding for cis-diamminedichloroplatinum(II) The Journal of Physical Chemistry. 90: 4491-4498. DOI: 10.1021/J100410A006 |
0.304 |
|
| 1984 |
Yang CY, Arratia-Perez R, Lopez JP. Electronic structure of tungsten hexacarbonyl Chemical Physics Letters. 107: 112-116. DOI: 10.1016/0009-2614(84)85682-1 |
0.635 |
|
| 1984 |
Arratia-Perez R, Case DA. Electronic structure of octachloroditungstate(II) Inorganic Chemistry. 23: 3271-3273. DOI: 10.1002/Chin.198452001 |
0.315 |
|
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