Patricio Gonzalez-Navarrete
Patricio Gonzalez-Navarrete
Technische Universität Berlin
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Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag2WO4 induced by electron irradiation
J Andrés, L Gracia, P Gonzalez-Navarrete, VM Longo, W Avansi Jr, ...
Scientific reports 4, 5391, 2014
892014
Unexpected Mechanistic Variants in the Thermal Gas-Phase Activation of Methane
H Schwarz, P González-Navarrete, J Li, M Schlangen, X Sun, T Weiske, ...
Organometallics 36 (1), 8-17, 2017
622017
Theoretical Investigation of the Hydrogenation of (TiO2)N Clusters (N = 1–10)
OA Syzgantseva, P Gonzalez-Navarrete, M Calatayud, S Bromley, ...
The Journal of Physical Chemistry C 115 (32), 15890-15899, 2011
612011
Unraveling reaction mechanisms by means of quantum chemical topology analysis
J Andrés, P González‐Navarrete, VS Safont
International Journal of Quantum Chemistry 114 (19), 1239-1252, 2014
552014
Chemical structure and reactivity by means of quantum chemical topology analysis
J Andrés, L Gracia, P González-Navarrete, VS Safont
Computational and Theoretical Chemistry 1053, 17-30, 2015
472015
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 …
J Andrés, S Berski, LR Domingo, P González‐Navarrete
Journal of computational chemistry 33 (7), 748-756, 2012
412012
An electron localization function and catastrophe theory analysis on the molecular mechanism of gas-phase identity SN2 reactions
V Polo, P Gonzalez-Navarrete, B Silvi, J Andres
Theoretical Chemistry Accounts 120 (4-6), 341-349, 2008
362008
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 …
J Andrés, S Berski, J Contreras-García, P González-Navarrete
The Journal of Physical Chemistry A 118 (9), 1663-1672, 2014
352014
On the Role of the Electronic Structure of the Heteronuclear Oxide Cluster [Ga2Mg2O5].+ in the Thermal Activation of Methane and Ethane: An Unusual Doping …
J Li, XN Wu, M Schlangen, S Zhou, P González‐Navarrete, S Tang, ...
Angewandte Chemie International Edition 54 (17), 5074-5078, 2015
332015
Activation of Methane and Carbon Dioxide Mediated by Transition‐Metal Doped Magnesium Oxide Clusters [MMgO]+/0/− (M=Sc–Zn)
J Li, P González‐Navarrete, M Schlangen, H Schwarz
Chemistry–A European Journal 21 (21), 7780-7789, 2015
282015
Penetrating the Elusive Mechanism of Copper-Mediated Fluoromethylation in the Presence of Oxygen through the Gas-Phase Reactivity of Well-Defined [LCuO]+ Complexes with …
NJ Rijs, P González-Navarrete, M Schlangen, H Schwarz
Journal of the American Chemical Society 138 (9), 3125-3135, 2016
252016
Electronic fluxes during diels‐alder reactions involving 1, 2‐benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory
P González‐Navarrete, LR Domingo, J Andrés, S Berski, B Silvi
Journal of computational chemistry 33 (30), 2400-2411, 2012
252012
How a Quantum Chemical Topology Analysis Enables to Predict Electron Density Transfers in Chemical Reactions. The Degenerated Cope Rearrangement of Semibullvalene
P Gonzalez-Navarrete, J Andrés, SA Berski
The Journal of Physical Chemistry Letters, 2012
242012
Unraveling the mechanisms of the selective oxidation of methanol to formaldehyde in vanadia supported on titania catalyst
P González-Navarrete, L Gracia, M Calatayud, J Andrés
The Journal of Physical Chemistry C 114 (13), 6039-6046, 2010
172010
A DFT study of methanol dissociation on isolated vanadate groups
L Gracia, P Gonzalez-Navarrete, M Calatayud, J Andres
Catalysis Today 139 (3), 214-220, 2008
162008
On the Activation of Methane and Carbon Dioxide by [HTaO]+ and [TaOH]+ in the Gas Phase: A Mechanistic Study
M Firouzbakht, NJ Rijs, P González‐Navarrete, M Schlangen, M Kaupp, ...
Chemistry–A European Journal 22 (30), 10581-10589, 2016
142016
Oxygen atom transfer reactions from mimoun complexes to sulfides and sulfoxides. A bonding evolution theory analysis
P Gonzalez-Navarrete, FR Sensato, J Andres, E Longo
The Journal of Physical Chemistry A 118 (31), 6092-6103, 2014
132014
Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory
J Andrés, P González-Navarrete, VS Safont, B Silvi
Physical Chemistry Chemical Physics 19 (43), 29031-29046, 2017
122017
Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster
P González‐Navarrete, L Gracia, M Calatayud, J Andrés
Journal of computational chemistry 31 (13), 2493-2501, 2010
122010
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)
M Firouzbakht, S Zhou, P González-Navarrete, M Schlangen, M Kaupp, ...
Chemistry-A European Journal, 2017
102017
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Artículos 1–20