JESUS RAMON
FLORES RODRIGUEZ
CATEDRATICO/A UNIVERSIDADE - TEMPO COMPLETO
Publications (76) JESUS RAMON FLORES RODRIGUEZ publications
2024
2021
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Structures of Small Tantalum Cluster Anions: Experiment and Theory
Journal of Physical Chemistry A, Vol. 125, Núm. 15, pp. 3135-3145
2018
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A dynamical model for the generation of H2 in microhydrated Al clusters
International Journal of Hydrogen Energy, Vol. 43, Núm. 52, pp. 23285-23298
2016
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Can alumina particles be formed from Al hydroxide in the circumstellar media? A first-principles chemical study
Physical Chemistry Chemical Physics, Vol. 18, Núm. 8, pp. 6103-6112
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On the (N, Z) dependence of the second-order Møller-Plesset correlation energies for closed-shell atomic systems
Journal of Chemical Physics, Vol. 145, Núm. 10
2015
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Reaction Mechanisms and Dynamics of H2 Generation in Microhydrated Al Clusters: The Role of Oxo-Hydroxyl and Dioxo Structures in the Al17-·(H2O)2 System
Journal of Physical Chemistry C, Vol. 119, Núm. 38, pp. 21928-21942
2014
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Hydrogen migration dynamics in hydrated Al clusters: The Al 17(-)·H2O system as an example
Journal of Chemical Physics, Vol. 140, Núm. 8
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Tunneling above the crossover temperature
Journal of Physical Chemistry A, Vol. 118, Núm. 1, pp. 78-82
2013
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A high-accuracy theoretical study of the CHnP Systems n = 1-3
Journal of Computational Chemistry, Vol. 34, Núm. 23, pp. 2020-2031
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Theoretical study of the chemiluminescence of the Al + H2O reaction
Journal of Physical Chemistry A, Vol. 117, Núm. 1, pp. 67-74
2012
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Size, adsorption site, and spin effects in the reaction of Al clusters with water molecules: Al 17 and Al 28 as examples
Journal of Physical Chemistry A, Vol. 116, Núm. 30, pp. 8040-8050
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The dynamics of the C + PH 3 reaction: A theoretical study
Journal of Chemical Physics, Vol. 137, Núm. 1
2011
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A theoretical study of the dynamics of the Al + H2O reaction in the gas-phase
Chemical Physics, Vol. 382, Núm. 1-3, pp. 92-97
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How fast do microhydrated Al clusters react: A theoretical study
Journal of Physical Chemistry C, Vol. 115, Núm. 50, pp. 24849-24857
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The oxidation of Al atoms embedded in water clusters: A dynamical study of the relay (Grotthuss-like) mechanism
Journal of Chemical Physics, Vol. 134, Núm. 24
2010
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How H2 can be formed by the interaction of Al atoms with a few water molecules: A theoretical study
Chemical Physics, Vol. 374, Núm. 1-3, pp. 131-137
2009
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A high-accuracy theoretical study of the AlOH2 system
Chemical Physics Letters, Vol. 470, Núm. 4-6, pp. 196-202
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Further quasi-classical trajectory studies on the C++H2O reaction
Molecular Simulation, Vol. 35, Núm. 4, pp. 325-333
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The interaction of Al atoms with water molecules: A theoretical study
Journal of Chemical Physics, Vol. 131, Núm. 17
2008
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Chapter 9 Asymptotic Behavior of MP2 Correlation Energies for Closed-Shell Atoms{star, open}{star, open}This work is dedicated to Professor Ingvar Lindgren on the occasion of his 75th birthday, with our best wishes for many more years of splendid activity
Advances in Quantum Chemistry, Vol. 53, pp. 151-175