Publications (12) Publications de ALEJANDRO RIVERO SANTAMARIA

2024

  1. Ab Initio Molecular Dynamics Calculations on NO Oxidation over Oxygen-Functionalized Highly Oriented Pyrolytic Graphite

    Journal of Physical Chemistry C, Vol. 128, Núm. 42, pp. 17894-17904

  2. Time evolution of natural orbitals in ab initio molecular dynamics

    Journal of Chemical Physics, Vol. 160, Núm. 7

2023

  1. Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted

    Physical Review Letters, Vol. 131, Núm. 23

2021

  1. Erratum: Ab Initio Molecular Dynamics Study of Alignment Resolved O2Scattering from Highly Oriented Pyrolytic Graphite (The Journal of Physical Chemistry C (2019) 123:51 (31094−31102) DOI: 10.1021/acs.jpcc.9b09774)

    Journal of Physical Chemistry C

  2. High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite

    The journal of physical chemistry. A, Vol. 125, Núm. 12, pp. 2588-2600

2019

  1. Ab Initio Molecular Dynamics Study of Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite

    Journal of Physical Chemistry C, Vol. 123, Núm. 51, pp. 31094-31102

  2. The Intricate Dynamics of the Si(3P) + OH(X2Π) Reaction

    Journal of Physical Chemistry A, Vol. 123, Núm. 36, pp. 7683-7692

2017

  1. Time-Dependent Quantum Wave Packet Study of the Si + OH → SiO + H Reaction: Cross Sections and Rate Constants

    Journal of Physical Chemistry A, Vol. 121, Núm. 8, pp. 1675-1685

2016

  1. Estudio de la reacción Si(3P) + Oh(X2Π) - SiO(X1Σ+) + H(2S) mediante el método del potencial promedio del espacio de fase (MPPST)

    Revista Cubana de Fisica, Vol. 33, Núm. 2, pp. 102-117

2014

  1. Quasi-classical trajectory calculations of cross sections and rate constants for the Si + OH → SiO + H reaction

    Chemical Physics Letters, Vol. 610-611, pp. 335-340

2013

  1. A global ab initio potential energy surface for the X2A ′ ground state of the Si + OH → SiO + H reaction

    Journal of Chemical Physics, Vol. 139, Núm. 20

2011

  1. The O(1D) + H2 (X 1Σ+, v, j) → OH(X 2Π, v′, j′) + H(2S) reaction at low collision energy: When a simple statistical description of the dynamics works

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 18, pp. 8136-8139