| AUTOMATON: a program that combines a probabilistic cellular automata and a genetic algorithm for global minimum search of clusters and molecules O Yanez, R Báez-Grez, D Inostroza, WA Rabanal-León, R Pino-Rios, ... Journal of chemical theory and computation 15 (2), 1463-1475, 2018 | 68 | 2018 |
| Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis RPR R. Báez-Grez, Walter A. Rabanal-León, Luis Alvarez-Thon, Lina Ruiz, W ... Journal of Physical Organic Chemistry, 2018 | 34* | 2018 |
| Carbon rings decorated with group 14 elements: New aromatic clusters containing planar tetracoordinate carbon O Yañez, A Vásquez-Espinal, R Báez-Grez, WA Rabanal-León, E Osorio, ... New Journal of Chemistry 43 (17), 6781-6785, 2019 | 33 | 2019 |
| The Synthesis of Stable, Complex Organocesium Tetramic Acids through the Ugi Reaction and Cesium‐Carbonate‐Promoted Cascades G Martinez‐Ariza, M Ayaz, SA Roberts, WA Rabanal‐León, ... Angewandte Chemie 127 (40), 11838-11842, 2015 | 25 | 2015 |
| Exploring the potential energy surface of small lead clusters using the gradient embedded genetic algorithm and an adequate treatment of relativistic effects WA Rabanal-León, W Tiznado, E Osorio, F Ferraro RSC advances 8 (1), 145-152, 2018 | 21 | 2018 |
| New Insights into Re3(μ-Cl)3Cl6 Aromaticity. Evidence of σ- and π-Diatropicity A Vásquez-Espinal, R Pino-Rios, L Alvarez-Thon, WA Rabanal-León, ... The Journal of Physical Chemistry Letters 6 (21), 4326-4330, 2015 | 20 | 2015 |
| Kick–Fukui: a Fukui function-guided method for molecular structure prediction O Yañez, R Báez-Grez, D Inostroza, R Pino-Rios, WA Rabanal-León, ... Journal of Chemical Information and Modeling 61 (8), 3955-3963, 2021 | 17 | 2021 |
| Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re6(μ3-Q8)]2+ Clusters WA Rabanal-León, JA Murillo-López, D Páez-Hernández, R Arratia-Pérez The Journal of Physical Chemistry A 118 (46), 11083-11089, 2014 | 17 | 2014 |
| Covalent lanthanide (III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule WA Rabanal-León, D Páez-Hernández, R Arratia-Pérez Physical Chemistry Chemical Physics 16 (47), 25978-25988, 2014 | 17 | 2014 |
| Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [Sn6Ge2Bi]3– and [(Sn6Ge2Bi)2]4– Structures R Báez-Grez, J Garza, A Vásquez-Espinal, E Osorio, WA Rabanal-León, ... Inorganic Chemistry 58 (15), 10057-10064, 2019 | 12 | 2019 |
| Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re 6 (μ 3-Q) 8 X 6] 4− clusters M Rojas-Poblete, A Carreño, M Gacitúa, D Páez-Hernández, ... New Journal of Chemistry 42 (7), 5471-5478, 2018 | 12 | 2018 |
| Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study WA Rabanal-León, JA Murillo-López, D Páez-Hernández, R Arratia-Pérez The Journal of Physical Chemistry A 119 (38), 9931-9940, 2015 | 11 | 2015 |
| Relativistic effects on the ring current strengths of the substituted borazine: B3N3H6 (X=H, F, Cl, Br, I, At) WA Rabanal‐León, W Tiznado, L Alvarez‐Thon International Journal of Quantum Chemistry 119 (11), e25859, 2019 | 9 | 2019 |
| Synthesis, characterization, X‐ray structure, electrochemistry, photocatalytic activity and DFT studies of heterotrinuclear Ni(II), Pd(II) and Zn(II) complexes containing a … P Chung, Y Huentupil, W Rabanal, J Cisterna, I Brito, R Arancibia Applied Organometallic Chemistry 34, e5974, 2020 | 6 | 2020 |
| Exploring the nature of the excitation energies in [Re 6 (μ 3-Q 8) X 6] 4− clusters: a relativistic approach WA Rabanal-León, JA Murillo-López, D Páez-Hernández, R Arratia-Pérez Physical Chemistry Chemical Physics 17 (27), 17611-17617, 2015 | 6 | 2015 |
| Aromaticity of [M3(µ‐X)3X6]0/2– (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field WA Rabanal‐León, A Vásquez‐Espinal, O Yañez, R Pino‐Rios, ... European Journal of Inorganic Chemistry 2018 (28), 3312-3319, 2018 | 5 | 2018 |
| Insights into bonding interactions and excitation energies of 3d–4f mixed lanthanide transition metal macrocyclic complexes WA Rabanal-León, JA Murillo-López, R Arratia-Pérez Physical Chemistry Chemical Physics 18 (48), 33218-33225, 2016 | 5 | 2016 |
| Insights on the structural and electronic properties of ScC n+, YC n+, LaC n+(n= 3–6) systems E Osorio, F Ferraro, CZ Hadad, WA Rabanal-León, W Tiznado Theoretical Chemistry Accounts 135, 1-10, 2016 | 2 | 2016 |
| Comparative Study of the Removal Efficiency of Nalidixic Acid by Poly [(4-Vinylbenzyl) Trimethylammonium Chloride] and N-Alkylated Chitosan through the Ultrafiltration … DA Palacio, C Muñoz, M Meléndrez, WA Rabanal-León, JA Murillo-López, ... Polymers 15 (15), 3185, 2023 | 1 | 2023 |
| Novel 2‐Pyrazolin‐5‐one Derivative through Unforeseen Orthoamide Intermediate: Mechanistic Insights on Isocyanide Based [4+ 1] Cycloaddition A Leyton, WA Rabanal‐León, JA Murillo‐López, J Belmar, O Concepción, ... ChemistrySelect 6 (26), 6690-6697, 2021 | 1 | 2021 |
Ramiro Arratia-PerezUniversidad Andres Bello在 unab.cl 的电子邮件经过验证
