The virtual atomic and molecular data centre (VAMDC) consortium ML Dubernet, BK Antony, YA Ba, YL Babikov, K Bartschat, V Boudon, ... Journal of Physics B: Atomic, Molecular and Optical Physics 49 (7), 074003, 2016 | 186 | 2016 |
AUTOSURF: A freely available program to construct potential energy surfaces E Quintas-Sánchez, R Dawes Journal of chemical information and modeling 59 (1), 262-271, 2018 | 56 | 2018 |
The construction of ab initio-based potential energy surfaces R Dawes, E Quintas-Sánchez Rev. Comput. Chem 31, 199-263, 2018 | 35 | 2018 |
Dynamical reaction pathways in Eley-Rideal recombination of nitrogen from W(100) E Quintas-Sánchez, P Larregaray, C Crespos, L Martin-Gondre, ... The Journal of chemical physics 137 (6), 064709, 2012 | 35 | 2012 |
Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W (100) E Quintas-Sánchez, C Crespos, P Larrégaray, JC Rayez, L Martin-Gondre, ... The Journal of Chemical Physics 138 (2), 2013 | 33 | 2013 |
Comparative Theoretical Study of H2 Eley–Rideal Recombination Dynamics on W(100) and W(110) R Pétuya, C Crespos, E Quintas-Sanchez, P Larrégaray The Journal of Physical Chemistry C 118 (22), 11704-11710, 2014 | 28 | 2014 |
Collisional Excitation of CF+ by H2: Potential Energy Surface and Rotational Cross Sections B Desrousseaux, E Quintas-Sánchez, R Dawes, F Lique The Journal of Physical Chemistry A 123 (45), 9637-9643, 2019 | 27 | 2019 |
Computational study of the ro-vibrational spectrum of CO–CO2 E Castro-Juárez, XG Wang, T Carrington, E Quintas-Sánchez, R Dawes The Journal of chemical physics 151 (8), 2019 | 26 | 2019 |
Interaction of Chiral Propylene Oxide (CH3CHCH2O) with Helium: Potential Energy Surface and Scattering Calculations A Faure, PJ Dagdigian, C Rist, R Dawes, E Quintas-Sánchez, F Lique, ... ACS Earth and Space Chemistry 3 (6), 964-972, 2019 | 25 | 2019 |
Isomerism effects in the collisional excitation of cyanoacetylene by molecular hydrogen CT Bop, FA Batista-Romero, A Faure, E Quintas-Sánchez, R Dawes, ... ACS Earth and Space Chemistry 3 (7), 1151-1157, 2019 | 23 | 2019 |
First quantum study of the rotational excitation of HCN by para-HO: Convergence of quantum results, influence of the potential energy surface, and approximate … ML Dubernet, E Quintas-Sánchez Molecular Astrophysics 16, 100046, 2019 | 19 | 2019 |
Rotationally inelastic scattering of O–Ar: state-to-state rates with the multiconfigurational time dependent Hartree method S Sur, SA Ndengué, E Quintas-Sánchez, C Bop, F Lique, R Dawes Physical Chemistry Chemical Physics 22 (4), 1869-1880, 2020 | 17 | 2020 |
Development of a potential energy surface for the O–Ar system: rovibrational states of the complex S Sur, E Quintas-Sánchez, SA Ndengué, R Dawes Physical Chemistry Chemical Physics 21 (18), 9168-9180, 2019 | 16 | 2019 |
Fully quantum calculations of O2–N2 scattering using a new potential energy surface: Collisional perturbations of the oxygen 118 GHz fine structure line M Gancewski, H Jóźwiak, E Quintas-Sánchez, R Dawes, F Thibault, ... The Journal of chemical physics 155 (12), 2021 | 15 | 2021 |
Theoretical study of HCN–water interaction: five dimensional potential energy surfaces EQ Sánchez, ML Dubernet Physical Chemistry Chemical Physics 19 (9), 6849-6860, 2017 | 15 | 2017 |
The Low-Lying Electronic States of NO2: Potential Energy and Dipole Surfaces, Bound States, and Electronic Absorption Spectrum S Ndengué, E Quintas-Sánchez, R Dawes, D Osborn The Journal of Physical Chemistry A 125 (25), 5519-5533, 2021 | 14 | 2021 |
Computational study of the rovibrational spectrum of CO–N E Quintas-Sánchez, R Dawes, XG Wang, T Carrington Physical Chemistry Chemical Physics 22 (39), 22674-22683, 2020 | 14 | 2020 |
Collisional excitation of interstellar PN by H2: New interaction potential and scattering calculations B Desrousseaux, E Quintas-Sánchez, R Dawes, S Marinakis, F Lique The Journal of Chemical Physics 154 (3), 2021 | 13 | 2021 |
Rotational quenching of an interstellar gas thermometer: CHCN⋯He collisions MB Khalifa, E Quintas-Sánchez, R Dawes, K Hammami, L Wiesenfeld Physical Chemistry Chemical Physics 22 (31), 17494-17502, 2020 | 11 | 2020 |
New potential energy surface for the HCS+–He system and inelastic rate coefficients ML Dubernet, E Quintas-Sánchez, P Tuckey The Journal of chemical physics 143 (4), 2015 | 11 | 2015 |