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Walter A. Rabanal-León
Walter A. Rabanal-León
Universidad de Concepción / Assistant professor
Dirección de correo verificada de udec.cl - Página principal
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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
632018
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
322019
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
252015
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
202018
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
192015
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
162014
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
162014
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
152021
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
122019
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
112018
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
112015
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
82019
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
62020
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
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
52016
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
42018
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
22016
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
12023
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
12021
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