List of works - Patricio Gonzalez-Navarrete

A bonding evolution analysis for the thermal Claisen rearrangement: an experimental and theoretical exercise for testing the electron density flow.

scientific article published on 8 December 2017

Activation of Methane and Carbon Dioxide Mediated by Transition-Metal Doped Magnesium Oxide Clusters [MMgO](+/0/-) (M=Sc-Zn).

scientific article published on 13 April 2015

Can Supported Reduced Vanadium Oxides form H2 from CH3OH? A Computational Gas-Phase Mechanistic Study.

scientific article published on 29 December 2017

Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory

scientific article published on 27 October 2017

Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster

scientific article published in 2010

Electronic fluxes during Diels-Alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory

scientific article published on 02 August 2012

Following the molecular mechanism for the NH3 + LiH → LiNH2 + H2 chemical reaction: a study based on the joint use of the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) index

scientific article published on 17 February 2014

How a Quantum Chemical Topology Analysis Enables Prediction of Electron Density Transfers in Chemical Reactions. The Degenerated Cope Rearrangement of Semibullvalene

scientific article published on 23 August 2012

Joint Use of Bonding Evolution Theory and QM/MM Hybrid Method for Understanding the Hydrogen Abstraction Mechanism via Cytochrome P450 Aromatase

scientific article published on 01 April 2015

Metal-Dependent Strengthening and Weakening of M-H and M-C Bonds by an Oxo Ligand: Thermal Gas-Phase Activation of Methane by [OMH]+ and [MH]+ (M=Mo, Ti).

scientific article published on 26 May 2017

Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory

scientific article published on 20 December 2011

On the Activation of Methane and Carbon Dioxide by [HTaO](+) and [TaOH](+) in the Gas Phase: A Mechanistic Study.

scientific article published on 29 June 2016

On the role of the electronic structure of the heteronuclear oxide cluster [Ga2Mg2O5 ](.+) in the thermal activation of methane and ethane: an unusual doping effect.

scientific article published on 27 February 2015

Oxygen atom transfer reactions from Mimoun complexes to sulfides and sulfoxides. A bonding evolution theory analysis

scientific article published on 28 July 2014

Penetrating the Elusive Mechanism of Copper-Mediated Fluoromethylation in the Presence of Oxygen through the Gas-Phase Reactivity of Well-Defined [LCuO](+) Complexes with Fluoromethanes (CH(4-n)Fn, n = 1-3).

scientific article published on 9 February 2016

Striking Doping Effects on Thermal Methane Activation Mediated by the Heteronuclear Metal Oxides [XAlO4 ].+ (X=V, Nb, and Ta).

scientific article published on 24 November 2016

Toward an understanding of the hydrogenation reaction of MO2 gas-phase clusters (M = Ti, Zr, and Hf).

scientific article published on 18 June 2013

Unravelling Mechanistic Aspects of the Gas-Phase Ethanol Conversion: An Experimental and Computational Study on the Thermal Reactions of MO2 (+) (M=Mo, W) with Ethanol.

scientific article published on 2 February 2016

List of works by Patricio Gonzalez-Navarrete