Molecular vibrations and force fields of alkyl sulfides—IX. Infrared spectra and the conformations of RSCH2SR (R  Et, Pr and Bu)

1975 ◽  
Vol 31 (9-10) ◽  
pp. 1271-1276 ◽  
Author(s):  
Masaru Ohsaku
Keyword(s):  
Infrared Spectra ◽  
Force Fields ◽  
Molecular Vibrations

Infrared Spectra of CF2═CHD and CF2═CD2: Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-Difluoroethylene

2010 ◽  
Vol 114 (34) ◽  
pp. 9309-9318 ◽  
Author(s):  
Donald C. McKean ◽  
Mark M. Law ◽  
Peter Groner ◽  
Andrew R. Conrad ◽  
Michael J. Tubergen ◽  
...  
Keyword(s):  
Infrared Spectra ◽  
Quantum Chemical ◽  
Force Fields ◽  
Equilibrium Structure ◽  
Chemical Force

Transformation of ab initio force fields in calculations of molecular vibrations using regundand vibrational coordinates

2011 ◽  
Vol 78 (5) ◽  
pp. 617-623 ◽  
Author(s):  
G. A. Pitsevich ◽  
A. V. Kostopravova ◽  
D. S. Umreiko ◽  
M. A. Ksenofontov
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Molecular Vibrations
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