Far-Infrared Spectra, ab Initio Calculations, and the Ring-Puckering Potential Energy Function of 2,3-Dihydrofuran

2001 ◽  
Vol 105 (28) ◽  
pp. 6894-6899 ◽  
Author(s):  
Daniel Autrey ◽  
Jaan Laane
Keyword(s):  
Potential Energy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Infrared Spectra ◽  
Energy Function ◽  
Far Infrared ◽  
Potential Energy Function ◽  
Ring Puckering ◽  
Far Infrared Spectra

Far-Infrared Spectra and Ring-Puckering Potential Energy Function of Bicyclo[3.1.0]hexan-3-one

1995 ◽  
Vol 99 (30) ◽  
pp. 11636-11639 ◽  
Author(s):  
Jaebum Choo ◽  
Whe-Yi Chiang ◽  
Soo-No Lee ◽  
Jaan Laane
Keyword(s):  
Potential Energy ◽  
Infrared Spectra ◽  
Energy Function ◽  
Far Infrared ◽  
Potential Energy Function ◽  
Ring Puckering ◽  
Far Infrared Spectra

Far-infrared spectra and pseudorotational potential energy function of 1,3-oxathiolane-2,2-d2

1992 ◽  
Vol 96 (22) ◽  
pp. 8817-8820 ◽  
Author(s):  
Sarah J. Leibowitz ◽  
Jaan Laane ◽  
Ruben Verastegui ◽  
John R. Villarreal
Keyword(s):  
Potential Energy ◽  
Infrared Spectra ◽  
Energy Function ◽  
Far Infrared ◽  
Potential Energy Function ◽  
Far Infrared Spectra

Far infrared spectra, conformational equilibria, vibrational assignments and ab initio calculations of 2-chloroethanol

1996 ◽  
Vol 385 (1) ◽  
pp. 7-21 ◽  
Author(s):  
J.R. Durig ◽  
Lin Zhou ◽  
T.K. Gounev ◽  
Peter Klaeboe ◽  
Gamil A. Guirgis ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Infrared Spectra ◽  
Far Infrared ◽  
Vibrational Assignments ◽  
Conformational Equilibria ◽  
Far Infrared Spectra

Far-infrared spectra and ab initio calculations of nitrosyl chloride

1991 ◽  
Vol 244 ◽  
pp. 103-115 ◽  
Author(s):  
J.R. Durig ◽  
T.J. Geyer ◽  
Young Hae Kim ◽  
V.F. Kalasinsky ◽  
J.K. McDonald
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Infrared Spectra ◽  
Far Infrared ◽  
Nitrosyl Chloride ◽  
Far Infrared Spectra

A Model DMMP/TiO2 (110) Intermolecular Potential Energy Function Developed from ab Initio Calculations

2011 ◽  
Vol 115 (25) ◽  
pp. 12403-12413 ◽  
Author(s):  
Li Yang ◽  
Ramona Taylor ◽  
Wibe A. de Jong ◽  
William L. Hase
Keyword(s):  
Potential Energy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Energy Function ◽  
Potential Energy Function ◽  
Intermolecular Potential
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