Walter A. Rabanal-León
Walter A. Rabanal-León
Universidad de Concepción / Assistant professor
Dirección de correo verificada de udec.cl
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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
272018
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
19*2018
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
192015
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
162015
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
152018
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
142019
Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re63-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
142014
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
122014
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
102018
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
82015
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
62015
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
52019
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
42019
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
32018
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
32016
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 (9), 1-10, 2016
12016
Relativistic-dft study of the electronic structure, bonding and energetic of the [ref8]־ and [uf8] 2-ions
WA Rabanal-León, R Arratia-Pérez
Journal of the Chilean Chemical Society 58 (4), 2020-2024, 2013
12013
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, 2021
2021
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
2021
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
2020
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