Ab initio MO studies of van der Waals molecule (N2)2: Potential energy surface and internal motion

1998 ◽  
Vol 109 (21) ◽  
pp. 9434-9438 ◽  
Author(s):  
Akira Wada ◽  
Hideto Kanamori ◽  
Suehiro Iwata
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Van Der Waals ◽  
Internal Motion ◽  
Ab Initio Mo

Ab initio MO studies on the potential energy surface of the methyl chloride radical anion

1992 ◽  
Vol 114 (5) ◽  
pp. 1593-1595 ◽  
Author(s):  
Tsukasa Tada ◽  
Reiko Yoshimura
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Radical Anion ◽  
Energy Surface ◽  
Methyl Chloride ◽  
Ab Initio Mo

An ab initio investigation of the potential energy surface of the benzene—neon van der Waals complex

1992 ◽  
Vol 195 (5-6) ◽  
pp. 482-486 ◽  
Author(s):  
Th. Brupbacher ◽  
H.P. Lüthi ◽  
A. Bauder
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Van Der Waals ◽  
Van Der Waals Complex

scholarly journals Exact quantum dynamics background of dispersion interactions: case study for CH4·Ar in full (12) dimensions

2020 ◽  
Vol 22 (5) ◽  
pp. 2792-2802
Author(s):  
Gustavo Avila ◽  
Dóra Papp ◽  
Gábor Czakó ◽  
Edit Mátyus
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Van Der Waals ◽  
Dispersion Interactions ◽  
Van Der Waals Complex ◽  
Exact Quantum

A full-dimensional ab initio potential energy surface is developed and utilized in full-dimensional variational vibrational computations for the CH4·Ar van-der-Waals complex.

A GAUSSIAN-1 Type Ab Initio MO Study of the [CH2NO]+Potential Energy Surface. Theoretical Support for the Existence of Three Experimentally Distinguishable Isomers in the Gas Phase

1993 ◽  
Vol 33 (3) ◽  
pp. 277-286 ◽  
Author(s):  
Jan Hrušák ◽  
Max C. Holthausen ◽  
Norman Goldberg ◽  
Muhammad Iraqi ◽  
Wolfram Koch ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Gas Phase ◽  
Energy Surface ◽  
Theoretical Support ◽  
Ab Initio Mo ◽  
Type Ab

ChemInform Abstract: Ab initio MO Study of the CH3N2+ Potential Energy Surface.

ChemInform ◽  
1987 ◽  
Vol 18 (2) ◽  
Author(s):  
W. KOCH ◽  
N. HEINRICH ◽  
H. SCHWARZ
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Ab Initio Mo
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