Ab Initio Molecular Dynamics Study of Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite A Rivero Santamaría, M Alducin, R Díez Muiño, JI Juaristi The Journal of Physical Chemistry C 123 (51), 31094-31102, 2019 | 17 | 2019 |
The O (1 D)+ H 2 (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 A Rivero-Santamaría, ML González-Martínez, T González-Lezana, ... Physical Chemistry Chemical Physics 13 (18), 8136-8139, 2011 | 15 | 2011 |
Quasi-classical trajectory calculations of cross sections and rate constants for the Si+ OH→ SiO+ H reaction A Rivero-Santamaría, F Dayou, J Rubayo-Soneira, M Monnerville Chemical Physics Letters 610, 335-340, 2014 | 11 | 2014 |
High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite A Rivero Santamaria, M Ramos, M Alducin, HF Busnengo, R Diez Muino, ... The Journal of Physical Chemistry A 125 (12), 2588-2600, 2021 | 8 | 2021 |
Time-dependent quantum wave packet study of the Si+ OH→ SiO+ H reaction: Cross sections and rate constants A Rivero Santamaria, F Dayou, J Rubayo-Soneira, M Monnerville The Journal of Physical Chemistry A 121 (8), 1675-1685, 2017 | 8 | 2017 |
A global ab initio potential energy surface for the X 2A′ ground state of the Si+ OH→ SiO+ H reaction F Dayou, D Duflot, A Rivero-Santamaría, M Monnerville The Journal of Chemical Physics 139 (20), 2013 | 6 | 2013 |
Caracterización de la formulación de 99mTc-Macroagregados de albúmina A Rivero Santamaría, Y Alfonso Marín, F Zayas Crespo, N Mesa Dueñas, ... Nucleus, 11-18, 2009 | 3 | 2009 |
Time evolution of natural orbitals in ab initio molecular dynamics A Rivero Santamaría, M Piris The Journal of Chemical Physics 160 (7), 2024 | 1 | 2024 |
Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted S Del Fré, AR Santamaría, D Duflot, R Basalgète, G Féraud, M Bertin, ... Physical Review Letters 131 (23), 238001, 2023 | 1 | 2023 |
Correction to “Ab Initio Molecular Dynamics Study of Alignment Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite” A Rivero Santamaría, M Alducin, R Díez Muiño, JI Juaristi The Journal of Physical Chemistry C 125 (1), 1170-1170, 2021 | 1 | 2021 |
The Intricate Dynamics of the Si(3P) + OH(X2Π) Reaction A Rivero Santamaría, P Larregaray, L Bonnet, F Dayou, M Monnerville The Journal of Physical Chemistry A 123 (36), 7683-7692, 2019 | 1 | 2019 |
Mean Potential Phase Space Theory Study of the Si (3P)+ OH (X2Π)→ SiO (X1Σ+)+ H (2S) Reaction RL Panadés-Barrueta, J Rubayo-Soneira, M Monnerville, P Larregaray, ... Revista Cubana de Física 33 (2), 102-117, 2016 | 1 | 2016 |
Reactivity, scattering, and energetic distribution of collisions between nitric oxide and oxidized graphite: Insights from AIMD calculations G Alou, AR Santamaría, C Toubin, M Monnerville Molecular-Level Understanding of Atmospheric Aerosols, 2024 | | 2024 |
Ab Initio Molecular Dynamics calculations on NO oxidation over oxygen functionalized High Oriented Pyrolytic Graphite A Rivero Santamaria, G Alou, C TOUBIN, M Monnerville | | 2023 |
Ab Initio Molecular Dynamics calculations on NO oxidation over oxygen functionalized High Oriented Pyrolytic Graphite AR Santamaría, G Alou, C Toubin, M Monnerville Workshop on Quo vadis theoretical modeling of gas-phase reactions …, 2023 | | 2023 |
Theoretical study of the vibrational energy redistribution in CO and CO: N2 aggregates S del Fré, AR Santamaría, C Toubin, D Duflot, M Monnerville Biennial conference of the National Program" Physics and Chemistry of the …, 2022 | | 2022 |
Étude théorique de la redistribution de l’énergie vibrationnelle dans des agrégats de CO S del Fré, AR Santamaría, C Toubin, D Duflot, M Monnerville Rencontres des Chimistes Théoriciens Francophones (RCTF 2022), 2022 | | 2022 |
Theoretical studies of photodesorption of molecular interstellar ices S del Fré, AR Santamaría, C Toubin, D Duflot, M Monnerville Journées plénières 2022 du GDR EMIE, 2022 | | 2022 |
Ab Initio Molecular Dynamics Study of Alignment Resolved O-2 Scattering from Highly Oriented Pyrolytic Graphite (vol 123, pg 31094, 2019) AR Santamaria, M Alducin, RD Muino, JI Juaristi JOURNAL OF PHYSICAL CHEMISTRY C 125 (1), 1170-1170, 2021 | | 2021 |
Theoretical study of Cl2-H2O interaction AR Santamaría, E Michoulier, D Duflot, C Toubin, M Monnerville Réunion WP1 CLIMIBIO, 2017 | | 2017 |