The molecular potential energy surface and vibrational energy levels of methyl fluoride. Part II

2006 ◽  
Vol 8 (24) ◽  
pp. 2855 ◽  
Author(s):  
Steven A. Manson ◽  
Mark M. Law ◽  
Ian A. Atkinson ◽  
Grant A. Thomson
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Methyl Fluoride ◽  
Molecular Potential ◽  
Molecular Potential Energy ◽  
Vibrational Energy Levels

Rotational and vibrational energy levels of methyl fluoride calculated from a new potential energy surface

2012 ◽  
Vol 274 ◽  
pp. 28-34 ◽  
Author(s):  
Andrei V. Nikitin ◽  
Michael Rey ◽  
Vladimir G. Tyuterev
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Methyl Fluoride ◽  
Vibrational Energy Levels

scholarly journals Anab initiobased full-dimensional potential energy surface for OH + O2⇄ HO3and low-lying vibrational levels of HO3

2019 ◽  
Vol 21 (25) ◽  
pp. 13766-13775 ◽  
Author(s):  
Xixi Hu ◽  
Junxiang Zuo ◽  
Changjian Xie ◽  
Richard Dawes ◽  
Hua Guo ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Vibrational Levels ◽  
Vibrational Energy Levels

A full-dimensional potential energy surface for HO3, including the HO + O2dissociation asymptote, is developed and rigorous quantum dynamics calculations based on this PES have been carried out to compute the vibrational energy levels of HO3.

Rotational and vibrational energy levels of methane calculated from a new potential energy surface

2011 ◽  
Vol 501 (4-6) ◽  
pp. 179-186 ◽  
Author(s):  
Andrei V. Nikitin ◽  
Michael Rey ◽  
Vladimir G. Tyuterev
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Vibrational Energy Levels

An ab initio potential energy surface and vibrational energy levels of HXeBr

2008 ◽  
Vol 19 (5) ◽  
pp. 627-630 ◽  
Author(s):  
Zheng Guo Huang ◽  
En Cui Yang ◽  
Dai Qian Xie
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Vibrational Energy Levels

scholarly journals N3+: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics

2020 ◽  
Vol 153 (4) ◽  
pp. 044302
Author(s):  
Debasish Koner ◽  
Max Schwilk ◽  
Sarbani Patra ◽  
Evan J. Bieske ◽  
Markus Meuwly
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ground State ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
State Potential ◽  
Vibrational Energy Levels

ChemInform Abstract: An ab initio Potential Energy Surface and Vibrational Energy Levels of HXeBr.

ChemInform ◽  
2008 ◽  
Vol 39 (38) ◽  
Author(s):  
Zheng Guo Huang ◽  
En Cui Yang ◽  
Dai Qian Xie
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Vibrational Energy Levels
Sign in / Sign up

Export Citation Format

Share Document