WR
Académico · Postgrado UdeC
WALTER ALFONSO RABANAL LEON
Doctor en Físicoquímica Molecular
Universidad Andrés Bello
wrabanal@udec.cl-
Novel 2-Pyrazolin-5-one Derivative through Unforeseen Orthoamide Intermediate: Mechanistic Insights on Isocyanide Based [4+1] Cycloaddition
CHEMISTRYSELECT 2021 ARTÍCULO WOS - SCOPUS AUTOR
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Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction
JOURNAL OF CHEMICAL INFORMATION AND MODELING 2021 ARTÍCULO WOS - SCOPUS AUTOR
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Synthesis, characterization, X-ray structure, electrochemistry, photocatalytic activity and DFT studies of heterotrinuclear Ni(II), Pd(II) and Zn(II) complexes containing a formylferrocene thiosemicarbazone ligand
APPLIED ORGANOMETALLIC CHEMISTRY 2020 ARTÍCULO WOS - SCOPUS AUTOR
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Relativistic effects on the ring current strengths of the substituted borazine: B 3 N 3 H 6 (X=H, F, Cl, Br, I, At)
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2019 ARTÍCULO WOS - SCOPUS AUTOR
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Carbon rings decorated with group 14 elements: new aromatic clusters containing planar tetracoordinate carbon
NEW JOURNAL OF CHEMISTRY 2019 ARTÍCULO WOS - SCOPUS AUTOR
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Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 2019 ARTÍCULO WOS - SCOPUS AUTOR
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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
JOURNAL OF CHEMICAL THEORY AND COMPUTATION 2019 ARTÍCULO WOS - SCOPUS AUTOR
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Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [Sn6Ge2Bi](3-) and [(Sn6Ge2Bi)(2)](4-) Structures
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2019 ARTÍCULO WOS - SCOPUS AUTOR
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Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re-6(mu(3)-Q)(8)X-6](4-) clusters
NEW JOURNAL OF CHEMISTRY 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Exploring the potential energy surface of small lead clusters using the gradient embedded genetic algorithm and an adequate treatment of relativistic effects
RSC ADVANCES 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Aromaticity of [M-3(mu-X)(3)X-6](0/2-) (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2016 ARTÍCULO WOS - SCOPUS AUTOR
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Insights on the structural and electronic properties of ScCn+, YCn+, LaCn+ (n=3-6) systems
THEORETICAL CHEMISTRY ACCOUNTS 2016 ARTÍCULO WOS - SCOPUS AUTOR
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Exploring the nature of the excitation energies in [Re-6(mu(3)-Q(8))X{6](4-) clusters: a relativistic approach
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2015 ARTÍCULO WOS - SCOPUS AUTOR
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Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study
JOURNAL OF PHYSICAL CHEMISTRY A 2015 ARTÍCULO WOS - SCOPUS AUTOR
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The Synthesis of Stable, Complex Organocesium Tetramic Acids through the Ugi Reaction and Cesium-Carbonate-Promoted Cascades
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2015 ARTÍCULO WOS - SCOPUS AUTOR
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New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2015 ARTÍCULO WOS - SCOPUS AUTOR
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Computational study of organo-cesium complexes and the possibility of lanthanide/actinide ions substitution
CHEMICAL PHYSICS LETTERS 2015 ARTÍCULO WOS - SCOPUS AUTOR
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Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2014 ARTÍCULO WOS - SCOPUS AUTOR
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Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re-6(mu(3)-Q(8))](2+) Clusters
JOURNAL OF PHYSICAL CHEMISTRY A 2014 ARTÍCULO WOS - SCOPUS AUTOR