ALEJANDRO RIVERO SANTAMARIA

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Publications

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Deep Potential-Driven Molecular Dynamics of CO Ice Analogues : Investigating Desorption Following Vibrational Excitation

Maxime Infuso , Samuel Del Fré , Gilberto A Alou , Mathieu Bertin , Jean-Hugues Fillion et al.

The Journal of Chemical Physics, 2025, 163, pp.084303. ⟨10.1063/5.0285103⟩

Article dans une revue hal-05111723v1

Photodesorption of CO ices: Rotational and translational energy distributions

Antoine Hacquard , Romain Basalgète , Samuel del Fré , Jozef Rakovský , Alenjandro Rivero Santamaria et al.

The Journal of Chemical Physics, 2024, 161 (18), pp.184306. ⟨10.1063/5.0230819⟩

Article dans une revue hal-04786845v1
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Time evolution of natural orbitals in ab initio molecular dynamics

Alejandro Rivero Santamaría , Mario Piris

The Journal of Chemical Physics, 2024, 160 (7), ⟨10.1063/5.0188491⟩

Article dans une revue hal-04491144v1
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Ab Initio Molecular Dynamics calculations on NO oxidation over oxygen functionalized Highly Oriented Pyrolytic Graphite

Gilberto Alou Angulo , Alejandro Rivero Santamaría , Céline Toubin , Maurice Monnerville

Journal of Physical Chemistry C, 2024, 128 (42), pp.17894-17904. ⟨10.1021/acs.jpcc.4c03961⟩

Article dans une revue hal-04629324v1
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Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted

Samuel del Fré , Alejandro Rivero Santamaría , Denis Duflot , Romain Basalgète , Géraldine Féraud et al.

Physical Review Letters, 2023, 131 (23), pp.238001. ⟨10.1103/PhysRevLett.131.238001⟩

Article dans une revue hal-04364305v1
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High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O<sub>2</sub> Scattering from Highly Oriented Pyrolytic Graphite

Alejandro Rivero Santamaría , Maximiliano Ramos , Maite Alducin , Heriberto Fabio Busnengo , Ricardo Díez Muiño et al.

Journal of Physical Chemistry A, 2021, 125 (12), pp.2588-2600. ⟨10.1021/acs.jpca.1c00835⟩

Article dans une revue hal-04087329v1
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The Intricate Dynamics of the Si(<sup>3</sup>P) + OH(X<sup>2</sup>Π) Reaction

Alejandro Rivero Santamaría , Pascal Larregaray , Laurent Bonnet , Fabrice Dayou , Maurice Monnerville

Journal of Physical Chemistry A, 2019, 123 (36), pp.7683-7692. ⟨10.1021/acs.jpca.9b04699⟩

Article dans une revue hal-02321818v2
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Ab Initio Molecular Dynamics Study of Alignment-Resolved O 2 Scattering from Highly Oriented Pyrolytic Graphite

Alejandro Rivero Santamaría , Maite Alducin , Ricardo Díez Muiño , J. Iñaki Juaristi

Journal of Physical Chemistry C, 2019, 123 (51), pp.31094-31102. ⟨10.1021/acs.jpcc.9b09774⟩

Article dans une revue hal-04087337v1

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

Alejandro Rivero Santamaría , Fabrice Dayou , Jesus Rubayo-Soneira , Maurice Monnerville

Journal of Physical Chemistry A, 2017, 121, pp.1675-1685. ⟨10.1021/acs.jpca.7b00174⟩

Article dans une revue hal-01467952v1

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

Alejandro Rivero-Santamaría , Fabrice Dayou , Jesus Rubayo-Soneira , Maurice Monnerville

Chemical Physics Letters, 2014, 610-611, pp.335. ⟨10.1016/j.cplett.2014.07.011⟩

Article dans une revue hal-01230998v1

A global ab initio potential energy surface for the X 2Aʹ ground state of the Si + OH → SiO + H reaction

Fabrice Dayou , Denis Duflot , Alejandro Rivero-Santamaría , Maurice Monnerville

The Journal of Chemical Physics, 2013, 139 (20), pp.204305. ⟨10.1063/1.4832324⟩

Article dans une revue hal-01231236v1

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

A. Rivero-Santamaría , M. González-Martínez , T. González-Lezana , J. Rubayo-Soneira , P. Larrégaray et al.

Physical Chemistry Chemical Physics, 2011, 13 (18), pp.8136. ⟨10.1039/c0cp02662j⟩

Article dans une revue hal-04087362v1

Theoretical Approaches to Astrophysical and Atmospheric High-Dimensional Systems: Combining Ab Initio Molecular Dynamics with Machine Learning-Based PES.

Alejandro Rivero Santamaría , Samuel del Fré , Gilberto Alou Angulo , Maxime Infuso , Denis Duflot et al.

92e Congrès de l'Acfas, May 2025, Montréal (Québec), Canada

Communication dans un congrès hal-05125226v1

Ab Initio Molecular Dynamics calculations on NO oxidation over oxygen functionalized Highly Oriented Pyrolytic Graphite (O-HOPG)

Alejandro Rivero Santamaría , Gilberto Alou Angulo , Céline Toubin , Maurice Monnerville

QuantumChemPhys Transborder Lab Meeting, Nov 2024, Bayonne, France

Communication dans un congrès hal-05243512v1
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Ab Initio Molecular Dynamics calculations on NO oxidation over oxygen functionalized High Oriented Pyrolytic Graphite

Alejandro Rivero Santamaría , Gilberto Alou , Céline Toubin , Maurice Monnerville

Workshop on Quo vadis theoretical modeling of gas-phase reactions: applications in atmospheric chemistry and climate change, Université de Montpellier, Jun 2023, Montpellier, France

Communication dans un congrès hal-04400362v1

Theoretical study of the vibrational energy redistribution in CO and CO: N<sub>2</sub> aggregates

Samuel del Fré , Alejandro Rivero Santamaría , Céline Toubin , Denis Duflot , Maurice Monnerville

Biennial conference of the National Program "Physics and Chemistry of the Interstellar Medium" (PCMI), Oct 2022, Paris, France

Communication dans un congrès hal-03767811v1

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

Alejandro Rivero Santamaría , Fabrice Dayou , Maurice Monnerville

AstroLille 2016 - Colloque bi-annuel du programme national INSU/PCMI, Oct 2016, Lille, France

Communication dans un congrès hal-01654249v1

Theoretical study of the Si + OH → SiO + H reaction

Fabrice Dayou , Alejandro Rivero Santamaría , Denis Duflot , Maurice Monnerville , Jesus Rubayo-Soneira

12th workshop on Quantum Reactive Scattering (QRS12), Oct 2014, Oaxaca, Mexico

Communication dans un congrès hal-01654220v1

Classical and quantum theoretical studies of the Si + OH → SiO + H reaction

Alejandro Rivero Santamaría , Jesus Rubayo-Soneira , Fabrice Dayou , Maurice Monnerville

Workshop Processus physico-chimiques d’intérêt astrophysique : la chimie de l’azote, Jun 2013, St Florent, France

Communication dans un congrès hal-01654233v1

Reactivity, scattering, and energetic distribution of collisions between nitric oxide and oxidized graphite: Insights from AIMD calculations

Gilberto Alou , Alejandro Rivero Santamaría , Céline Toubin , Maurice Monnerville

Molecular-Level Understanding of Atmospheric Aerosols, Apr 2024, Cargèse, France. , 2024

Poster de conférence hal-04526158v1

Étude théorique de la redistribution de l’énergie vibrationnelle dans des agrégats de CO

Samuel del Fré , Alejandro Rivero Santamaría , Céline Toubin , Denis Duflot , Maurice Monnerville

Rencontres des Chimistes Théoriciens Francophones (RCTF 2022), Jun 2022, Bordeaux, France. , 2022

Poster de conférence hal-03706668v1

Theoretical studies of photodesorption of molecular interstellar ices

Samuel del Fré , Alejandro Rivero Santamaría , Céline Toubin , Denis Duflot , Maurice Monnerville

Journées plénières 2022 du GDR EMIE, Jun 2022, Dunkerque, France. , 2022

Poster de conférence hal-03695134v1

Theoretical study of Cl<sub>2</sub>-H<sub>2</sub>O interaction

Alejandro Rivero Santamaría , Eric Michoulier , Denis Duflot , Céline Toubin , Maurice Monnerville

Réunion WP1 CLIMIBIO, Jun 2017, Lille, France. , 2017

Poster de conférence hal-01536231v1

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

Alejandro Rivero Santamaría , Fabrice Dayou , Maurice Monnerville

AstroLille 2016 - Colloque bi-annuel du programme national INSU/PCMI, Oct 2016, Lille, France. , 2016

Poster de conférence hal-01486234v1