36 citations · 343 across the 24 of their papers we have counts for
26 papers
Extrapolating Collisional Rate Coefficients for Molecules of Astrophysical Interest Using Neural Networks
Yigit Ergen, Jérôme Loreau
State-to-state rate coefficients for inelastic molecular collisions are essential inputs for non-local thermodynamic equilibrium radiative transfer models, yet their computation us…
Smite: A quasiclassical trajectory (QCT) program for bimolecular collisions and unimolecular dynamics on ab-initio, and machine-learned potential energy surfaces
Péter Szabó, Jenne van Veerdeghem, Jérôme Loreau +2
We present Smite, a Python toolkit for quasiclassical trajectory (QCT) simulations of reactive and inelastic bimolecular collisions, unimolecular dynamics, and molecular collisions…
Collisional excitation of methyl (iso)cyanide by He atoms: rate coefficients and isomerism effects
M. Ben Khalifa, P. J. Dagdigian, J. Loreau
Among all closed-shell species observed in molecular clouds, molecules with C symmetry play a crucial role, as their rotational spectroscopy allows them to behave as a gas t…
Interaction of CHCN and CHNC with He : potential energy surfaces and low-energy scattering
Malek Ben Khalifa, Paul J. Dagdigian, Jérôme Loreau
Several nitrogen-bearing molecules, such as methyl cyanide (or acetonitrile, CHCN) and methyl isocyanide (CHNC) of interest here, have been observed in various astrophysica…
Hyperfine collisional excitation of ammonia by molecular hydrogen
J. Loreau, A. Faure, F. Lique +2
Ammonia is one of the most widely observed molecules in space, and many observations are able to resolve the hyperfine structure due to the electric quadrupole moment of the nitrog…
The effect of water and electron collisions in the rotational excitation of HF in comets
J. Loreau, A. Faure, F. Lique
We present the first set of rate coefficients for the rotational excitation of the 7 lowest levels of hydrogen fluoride (HF) induced by collision with water molecules, the dominant…