262 citations · 1.4k across the 26 of their papers we have counts for
26 papers
Mixed Quantum/Classical Theory (MQCT) Approach to the Dynamics of Molecule-Molecule Collisions in Complex Systems
Carolin Joy, Bikramaditya Mandal, Dulat Bostan +2
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in co…
Water Ortho-to-Para ratio in the coma of comet 67P/Churyumov-Gerasimenko
Y. -C. Cheng, D. Bockelée-Morvan, M. Roos-Serote +9
Abundance ratios of the nuclear-spin isomers of HO and NH have been measured in about two dozen comets, with a mean value corresponding to a nuclear-spin temperature of $\s…
New model for datasets citation and extraction reproducibility in VAMDC
Carlo Maria Zwölf, Nicolas Moreau, Marie-Lise Dubernet
In this paper we present a new paradigm for the identification of datasets extracted from the Virtual Atomic and Molecular Data Centre (VAMDC) e-science infrastructure. Such identi…
Collisional excitation of water by hydrogen atoms
F. Daniel, A. Faure, P. J. Dagdigian +3
We present quantum dynamical calculations that describe the rotational excitation of HO due to collisions with H atoms. We used a recent, high accuracy potential energy surface…
Ro-vibrational relaxation of HCN in collisions with He: Rigid bender treatment of the bending-rotation interaction
Thierry Stoecklin, Otoniel Denis-Alpizar, Philippe Halvick +1
We present a new theoretical method to treat atom-rigid bender inelastic collisions at the Close Coupling level (RBCC) in the space fixed frame. The coupling between rotation and b…
A four-dimensional potential energy surface for the He - HCN complex
Otoniel Denis-Alpizar, Thierry Stoecklin, Philippe Halvick +1
A four-dimensional potential energy surface for the interaction between He and HCN with vibrational bending is presented. Ab initio calculations were carried out at the coupled-clu…