Is the Gas-phase OH+ H2CO Reaction a Source of HCO in Interstellar Cold Dark Clouds? A Kinetic, Dynamic, and Modeling Study AJ Ocaña, E Jiménez, B Ballesteros, A Canosa, M Antiñolo, J Albaladejo, ... The Astrophysical Journal 850 (1), 28, 2017 | 46 | 2017 |
Full dimensional potential energy surface and low temperature dynamics of the H 2 CO+ OH→ HCO+ H 2 O reaction A Zanchet, P Del Mazo, A Aguado, O Roncero, E Jiménez, A Canosa, ... Physical Chemistry Chemical Physics 20 (8), 5415-5426, 2018 | 32 | 2018 |
Quantum roaming in the complex-forming mechanism of the reactions of OH with formaldehyde and methanol at low temperature and zero pressure: A ring polymer molecular dynamics … P del Mazo-Sevillano, A Aguado, E Jiménez, YV Suleimanov, O Roncero The journal of physical chemistry letters 10 (8), 1900-1907, 2019 | 29 | 2019 |
Neural network potential energy surface for the low temperature ring polymer molecular dynamics of the H2CO+ OH reaction P Mazo-Sevillano, A Aguado, O Roncero The Journal of Chemical Physics 154 (9), 2021 | 23 | 2021 |
Zero-and high-pressure mechanisms in the complex forming reactions of OH with methanol and formaldehyde at low temperatures F Naumkin, P del Mazo-Sevillano, A Aguado, YV Suleimanov, O Roncero ACS Earth and Space Chemistry 3 (7), 1158-1169, 2019 | 18 | 2019 |
Variational principle to regularize machine-learned density functionals: The non-interacting kinetic-energy functional P Mazo-Sevillano, J Hermann The Journal of Chemical Physics 159 (19), 2023 | 2 | 2023 |
Vibrational, non-adiabatic and isotopic effects in the dynamics of the H2 + H2+ → H3+ + H reaction: application to plasma modelling P del Mazo-Sevillano, D Félix-González, A Aguado, C Sanz-Sanz, ... Molecular Physics 122 (1-2), e2183071, 2024 | 1 | 2024 |
The role of dimers in complex forming reactions at low temperature: full dimension potential and dynamics of (H2CO) 2+ OH reaction. P del Mazo-Sevillano, A Aguado, A Zanchet, O Roncero Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry …, 2023 | 1 | 2023 |
Quantum study of the CH photodissociation in full dimension Neural Networks potential energy surfaces P del Mazo-Sevillano, A Aguado, JR Goicoechea, O Roncero arXiv preprint arXiv:2404.15032, 2024 | | 2024 |
Cover Feature: The role of dimers in complex forming reactions at low temperature: full dimension potential and dynamics of (H2CO)2+OH reaction … P del Mazo‐Sevillano, A Aguado, A Zanchet, O Roncero ChemPhysChem 24 (15), e202300462, 2023 | | 2023 |
Superficie de energía potencial y dinámica para la reacción H2CO+ OH. P del Mazo Sevillano Superficie de energía potencial y dinámica para la reacción H2CO+ OH., 1-239, 2021 | | 2021 |
Artificial Neural Network Potential Energy Surface for H2CO+ OH reaction P Mazo-Sevillano, O Roncero, A Aguado | | 2019 |
Theoretical insights on complex organic molecules cold chemistry: the reactions of methanol+ OH and formaldehyde+ OH in gas phase A Zanchet, P Mazo-Sevillano, A Aguado, O Roncero Real Sociedad Española de Química, 2017 | | 2017 |
Potential Energy Surface and Dynamics of the H2CO+ OH reaction P del Mazo, A Zanchet, O Roncero, A Aguado, A Ocaña, E Jimenez, ... Annual Conference of the COST CM1401" Our Astrochemical History" program, 2017 | | 2017 |