Inelastic scattering calculations in polyatomic systems using an ab initio intermolecular potential energy surface. II. Rotational energy transfer in CO2–H2 collisions

1980 ◽  
Vol 72 (5) ◽  
pp. 3163-3178 ◽  
Author(s):  
N. Sathyamurthy ◽  
L. M. Raff
Keyword(s):  
Energy Transfer ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Ab Initio ◽  
Energy Surface ◽  
Rotational Energy ◽  
Intermolecular Potential ◽  
Rotational Energy Transfer ◽  
Polyatomic Systems

van der Waals interaction of HNCO and H2: Potential Energy Surface and Rotational Energy Transfer

2018 ◽  
Vol 122 (11) ◽  
pp. 3004-3012 ◽  
Author(s):  
Emna Sahnoun ◽  
Laurent Wiesenfeld ◽  
Kamel Hammami ◽  
Nejmeddine Jaidane
Keyword(s):  
Energy Transfer ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Van Der Waals ◽  
Rotational Energy ◽  
Van Der Waals Interaction ◽  
Rotational Energy Transfer

A full-dimensional ab initio intermolecular potential energy surface and rovibrational spectra for OC–HF and OC–DF

2021 ◽  
Vol 155 (8) ◽  
pp. 084302
Author(s):  
Qiong Liu ◽  
Lu Liu ◽  
Feng An ◽  
Jing Huang ◽  
Yanzi Zhou ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Intermolecular Potential ◽  
Rovibrational Spectra

scholarly journals Rotationally inelastic scattering of ND3with H2as a probe of the intermolecular potential energy surface

2015 ◽  
Vol 113 (24) ◽  
pp. 3925-3933 ◽  
Author(s):  
Ondřej Tkáč ◽  
Ashim K. Saha ◽  
Jérôme Loreau ◽  
Qianli Ma ◽  
Paul J. Dagdigian ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Energy Surface ◽  
Intermolecular Potential ◽  
Rotationally Inelastic Scattering

Ab initio calculation of the intermolecular potential energy surface of (CO2)2 and first applications in simulations of fluid CO2

1996 ◽  
Vol 213 (1-3) ◽  
pp. 253-261 ◽  
Author(s):  
Marc Welker ◽  
Gerold Steinebrunner ◽  
Jan Solca ◽  
Hanspeter Huber
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Energy Surface ◽  
Intermolecular Potential

F2 dimer: Improved intermolecular potential energy surface using ab initio calculations

2016 ◽  
Vol 116 (20) ◽  
pp. 1477-1485 ◽  
Author(s):  
Saeedeh Tashakor ◽  
Mohammad R. Noorbala ◽  
Mansoor Namazian
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Energy Surface ◽  
Intermolecular Potential
Sign in / Sign up

Export Citation Format

Share Document