Publicacións (75) Publicacións de JESUS RAMON FLORES RODRIGUEZ

2021

  1. Structures of Small Tantalum Cluster Anions: Experiment and Theory

    Journal of Physical Chemistry A, Vol. 125, Núm. 15, pp. 3135-3145

2018

  1. 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

  1. 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

  2. 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

  1. 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

  1. Hydrogen migration dynamics in hydrated Al clusters: The Al 17(-)·H2O system as an example

    Journal of Chemical Physics, Vol. 140, Núm. 8

  2. Tunneling above the crossover temperature

    Journal of Physical Chemistry A, Vol. 118, Núm. 1, pp. 78-82

2013

  1. A high-accuracy theoretical study of the CHnP Systems n = 1-3

    Journal of Computational Chemistry, Vol. 34, Núm. 23, pp. 2020-2031

  2. Theoretical study of the chemiluminescence of the Al + H2O reaction

    Journal of Physical Chemistry A, Vol. 117, Núm. 1, pp. 67-74

2012

  1. 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

  2. The dynamics of the C + PH 3 reaction: A theoretical study

    Journal of Chemical Physics, Vol. 137, Núm. 1

2011

  1. 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

  2. How fast do microhydrated Al clusters react: A theoretical study

    Journal of Physical Chemistry C, Vol. 115, Núm. 50, pp. 24849-24857

  3. 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

  1. 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

  1. A high-accuracy theoretical study of the AlOH2 system

    Chemical Physics Letters, Vol. 470, Núm. 4-6, pp. 196-202

  2. Further quasi-classical trajectory studies on the C++H2O reaction

    Molecular Simulation, Vol. 35, Núm. 4, pp. 325-333

  3. The interaction of Al atoms with water molecules: A theoretical study

    Journal of Chemical Physics, Vol. 131, Núm. 17

2008

  1. 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

  2. New benchmarks for the second-order correlation energies of Ne and Ar through the finite element MP2 method

    International Journal of Quantum Chemistry, Vol. 108, Núm. 12 SPEC. ISS., pp. 2172-2177