Global ab initio ground-state potential energy surface of N4
We present a global ground-state potential energy surface for N 4 suitable for treating high-
energy vibrational-rotational energy transfer and collision-induced dissociation in N 2–N 2 …
energy vibrational-rotational energy transfer and collision-induced dissociation in N 2–N 2 …
A detailed multiscale study of rotational–translational relaxation process of diatomic molecules
V Kosyanchuk, A Yakunchikov - Physics of Fluids, 2021 - pubs.aip.org
This article continues our cycle devoted to comprehensive investigation of the diatomic
molecule collision process. In this paper, we focus particularly on the in-depth study of the …
molecule collision process. In this paper, we focus particularly on the in-depth study of the …
Intermolecular configurations dominated by quadrupole–quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy …
JM Liu, Y Zhai, XL Zhang, H Li - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
A thorough understanding of the intermolecular configurations of van der Waals complexes
is a great challenge due to their weak interactions, floppiness and anharmonic nature …
is a great challenge due to their weak interactions, floppiness and anharmonic nature …
Comparison of quantum, semi-classical and classical methods in the calculation of nitrogen self-broadened linewidths
F Thibault, L Gomez, SV Ivanov, OG Buzykin… - Journal of Quantitative …, 2012 - Elsevier
We perform dynamical calculations on two robust N2–N2 potential energy surfaces in order
to intercompare pressure broadening coefficients derived from close coupling and coupled …
to intercompare pressure broadening coefficients derived from close coupling and coupled …
The effect of the intermolecular potential formulation on the state‐selected energy exchange rate coefficients in N2–N2 collisions
A Kurnosov, M Cacciatore, A Lagana… - Journal of …, 2014 - Wiley Online Library
The rate coefficients for N2–N2 collision‐induced vibrational energy exchange (important for
the enhancement of several modern innovative technologies) have been computed over a …
the enhancement of several modern innovative technologies) have been computed over a …
A New Look at the Infrared Spectrum of the Weakly Bound CO–N2 Complex
M Rezaei, KH Michaelian… - The Journal of …, 2013 - ACS Publications
A broad-band (2135–2165 cm–1) infrared spectrum of the CO–N2 van der Waals complex is
obtained, using a tunable quantum cascade laser to probe a pulsed supersonic expansion …
obtained, using a tunable quantum cascade laser to probe a pulsed supersonic expansion …
An atomic-level study of the N2–N2 collision process at temperatures up to 2000 K
V Kosyanchuk, A Yakunchikov - Physics of Fluids, 2020 - pubs.aip.org
This article studies the mechanics of the N 2–N 2 collision process at temperatures up to
2000 K through an extensive set of classical trajectory calculations of binary collisions. It is …
2000 K through an extensive set of classical trajectory calculations of binary collisions. It is …
Line coupling effects in the isotropic Raman spectra of N2: A quantum calculation at room temperature
F Thibault, C Boulet, Q Ma - The Journal of Chemical Physics, 2014 - pubs.aip.org
We present quantum calculations of the relaxation matrix for the Q branch of N 2 at room
temperature using a recently proposed N 2-N 2 rigid rotor potential. Close coupling …
temperature using a recently proposed N 2-N 2 rigid rotor potential. Close coupling …
Quantum Mechanical Potential Energy Surfaces and State Couplings for Photodissociation and Collision-Induced Dissociation Reactions: New Methods and …
KR Yang - 2014 - search.proquest.com
Potential energy surfaces (PESs) play essential roles in the study of chemical dynamics. The
adiabatic ground-state PES of N 4 was constructed with permutationally invariant …
adiabatic ground-state PES of N 4 was constructed with permutationally invariant …