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The O((1)D) + H2 (X (1)Σ+, v, j) → OH(X (2)Π, v', j') + H((2)S) reaction at low collision energy: when a simple statistical description of the dynamics works.
Phys Chem Chem Phys. 2011 May 14;13(18):8136-9. doi: 10.1039/c0cp02662j. Epub 2011 Mar 24.
Phys Chem Chem Phys. 2011.
PMID: 21437306
The Intricate Dynamics of the Si(3P) + OH(X2Π) Reaction.
Rivero Santamaría A, Larregaray P, Bonnet L, Dayou F, Monnerville M.
Rivero Santamaría A, et al.
J Phys Chem A. 2019 Sep 12;123(36):7683-7692. doi: 10.1021/acs.jpca.9b04699. Epub 2019 Aug 28.
J Phys Chem A. 2019.
PMID: 31418560
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Time-Dependent Quantum Wave Packet Study of the Si + OH → SiO + H Reaction: Cross Sections and Rate Constants.
Rivero Santamaría A, Dayou F, Rubayo-Soneira J, Monnerville M.
Rivero Santamaría A, et al.
J Phys Chem A. 2017 Mar 2;121(8):1675-1685. doi: 10.1021/acs.jpca.7b00174. Epub 2017 Feb 15.
J Phys Chem A. 2017.
PMID: 28171718
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A global ab initio potential energy surface for the X2A' ground state of the Si + OH → SiO + H reaction.
Dayou F, Duflot D, Rivero-Santamaría A, Monnerville M.
Dayou F, et al. Among authors: rivero santamaria a.
J Chem Phys. 2013 Nov 28;139(20):204305. doi: 10.1063/1.4832324.
J Chem Phys. 2013.
PMID: 24289352
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High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite.
Rivero Santamaría A, Ramos M, Alducin M, Busnengo HF, Díez Muiño R, Juaristi JI.
Rivero Santamaría A, et al.
J Phys Chem A. 2021 Apr 1;125(12):2588-2600. doi: 10.1021/acs.jpca.1c00835. Epub 2021 Mar 18.
J Phys Chem A. 2021.
PMID: 33734696
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Time evolution of natural orbitals in ab initio molecular dynamics.
Rivero Santamaría A, Piris M.
Rivero Santamaría A, et al.
J Chem Phys. 2024 Feb 21;160(7):071102. doi: 10.1063/5.0188491.
J Chem Phys. 2024.
PMID: 38364005
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