We present a new method taking explicitly into account the coupling between rotation and
bending of a nonlinear triatomic molecule colliding with an atom. This approach based on a …

Four-dimensional potential energy surface (4D-PES) of the atmospherically relevant CO 2–
N 2 van der Waals complex is generated using the explicitly correlated coupled cluster with …

Vibrationally excited levels of the H2O molecule are currently detected in various
environments of the interstellar medium (ISM), and collisional data for H2O, including …

We extend our recent theoretical work on the bending relaxation of H2O in collisions with H2
by including the three water modes of vibration coupled with rotation, as well as the rotation …

We present a close coupling study of the bending relaxation of H 2 O by collision with He,
taking explicitly into account the bending–rotation coupling within the rigid-bender close …

Currently, the explicitly correlated coupled cluster method is used routinely to generate the
multi-dimensional potential energy surfaces (mD-PESs) of van der Waals complexes of …

The quantum dynamics of rotational transitions of the diisocyanogen (CNNC) molecule
undergoing collision with the helium (He) atom occurring in the interstellar medium (ISM) …

Context. An accurate analysis of the physical-chemical conditions in the regions of the
interstellar medium in which C 3 is observed requires knowing the collisional rate …

Ab initio and DFT studies on CO2 interacting with different tautomers and isomers of triazole
(TZ) are carried out to understand the adsorption mechanism and their mutual preferential …

The effect of para-hydrogen (jp= 0) collisions on the rotational de-excitation transitions of
molecule NCCP is investigated in this study. The scattering information is obtained by …