Lista de obras -

A detailed analysis of the mechanism of a carbocationic triple shift rearrangement

artículo científico publicado en 2015

An extension of the Marcus equation: the Marcus potential energy function

artículo científico publicado en 2018

Catalytic Mechanism of H2 Activation by a Carbenoid Aluminum Complex

scholarly article by Nery Villegas-Escobar et al published 17 November 2015 in Journal of Physical Chemistry C

Cover Feature: Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo -dig and 6-endo -dig Cyclization Reactions (Chem. Eur. J. 54/2017)

Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo-dig and 6-endo-dig Cyclization Reactions

artículo científico publicado en 2017

ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water

artículo científico publicado en 2017

Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective

artículo científico publicado en 2015

Hydrogenation and hydration of carbon dioxide: a detailed characterization of the reaction mechanisms based on the reaction force and reaction electronic flux analyses

scientific article published on 04 January 2019

Insights into the Mechanism of Ground and Excited State Double Proton Transfer Reaction in Formic Acid Dimer.

artículo científico publicado en 2017

Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-π-methane Rearrangement

scientific article published on 14 March 2018

Spectral Decomposition of the Reaction Force Constant

artículo científico publicado en 2020

Study of antiradical mechanisms with dihydroxybenzenes using reaction force and reaction electronic flux

artículo científico publicado en 2017

Symmetry-adapted reaction electronic flux in cycloaddition reactions

The Role of Co-Activation and Ligand Functionalization in Neutral Methallyl Nickel(II) Catalysts for Ethylene Oligomerization and Polymerization

artículo científico publicado en 2017

The effect of heteroatoms in carbonaceous surfaces: computational analysis of H chemisorption on to a PANH and Si-doped PAH

scholarly article

The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study

artículo científico publicado en 2017

The mechanism of chemisorption of hydrogen atom on graphene: Insights from the reaction force and reaction electronic flux

artículo científico publicado en 2014

The performance of methallyl nickel complexes and boron adducts in the catalytic activation of ethylene: a conceptual DFT perspective.

artículo científico publicado en 2015

Lista de obras de

A detailed analysis of the mechanism of a carbocationic triple shift rearrangement

An extension of the Marcus equation: the Marcus potential energy function

Catalytic Mechanism of H2 Activation by a Carbenoid Aluminum Complex

Cover Feature: Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo -dig and 6-endo -dig Cyclization Reactions (Chem. Eur. J. 54/2017)

Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo-dig and 6-endo-dig Cyclization Reactions

ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water

Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective

Hydrogenation and hydration of carbon dioxide: a detailed characterization of the reaction mechanisms based on the reaction force and reaction electronic flux analyses

Insights into the Mechanism of Ground and Excited State Double Proton Transfer Reaction in Formic Acid Dimer.

Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-π-methane Rearrangement

Spectral Decomposition of the Reaction Force Constant

Study of antiradical mechanisms with dihydroxybenzenes using reaction force and reaction electronic flux

Symmetry-adapted reaction electronic flux in cycloaddition reactions

The Role of Co-Activation and Ligand Functionalization in Neutral Methallyl Nickel(II) Catalysts for Ethylene Oligomerization and Polymerization

The effect of heteroatoms in carbonaceous surfaces: computational analysis of H chemisorption on to a PANH and Si-doped PAH

The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study

The mechanism of chemisorption of hydrogen atom on graphene: Insights from the reaction force and reaction electronic flux

The performance of methallyl nickel complexes and boron adducts in the catalytic activation of ethylene: a conceptual DFT perspective.

Why Low Valent Lead(II) Hydride Complex Would be a Better Catalyst for CO2 Activation than Its 14 Group Analogues?