Improved Quantum–Classical Treatment of N2–N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets
In this study, complete (ie, including all vibrational quantum numbers in an N2 vibrational
ladder) data sets of vibration-to-vibration and vibration-to-translation rate coefficients for N2 …
ladder) data sets of vibration-to-vibration and vibration-to-translation rate coefficients for N2 …
Vibrational deactivation in O (3P)+ N2 collisions: from an old problem towards its solution
In a recent communication [2021 Phys. Chem. Chem. Phys. 23 15475–79] we showed that
the correct modelling of vibrational quenching events in O+ N 2 (v) collisions, a fundamental …
the correct modelling of vibrational quenching events in O+ N 2 (v) collisions, a fundamental …
[HTML][HTML] Vibrational Energy Transfer in CO+N2 Collisions: A Database for V–V and V–T/R Quantum-Classical Rate Coefficients
Knowledge of energy exchange rate constants in inelastic collisions is critically required for
accurate characterization and simulation of several processes in gaseous environments …
accurate characterization and simulation of several processes in gaseous environments …
Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface
A merged potential energy surface (PES) is introduced for CO+ CO collisions by combining
a recent full-dimensional ab initio PES [Chen et al. J. Chem. Phys. 153, 054310 (2020)] and …
a recent full-dimensional ab initio PES [Chen et al. J. Chem. Phys. 153, 054310 (2020)] and …
Coherent Preparation of Highly Vibrating and Rotating D2 Molecules
WE Perreault, H Zhou, N Mukherjee… - The Journal of Physical …, 2022 - ACS Publications
Highly vibrationally and rotationally excited hydrogen molecules are of immense interest for
understanding and modeling the physics and chemistry of the cold interstellar medium …
understanding and modeling the physics and chemistry of the cold interstellar medium …
Ab Initio Potential Energy Surface for NaCl–H2 with Correct Long-Range Behavior
We report a full dimensional ab initio potential energy surface for NaCl–H2 based on precise
fitting of a large data set of CCSD (T)/aug-cc-pVTZ energies. A major goal of this fit is to …
fitting of a large data set of CCSD (T)/aug-cc-pVTZ energies. A major goal of this fit is to …
On the effect of long-range interactions in low-energy collisions
C Coletti - cecam2021.sciencesconf.org
The basic ingredient needed to properly investigate elementary processes promoted by
collisions is the accurate characterization of the interaction potentials. Progress in …
collisions is the accurate characterization of the interaction potentials. Progress in …