Force field and vibrational assignment for cyclobutane from a combination of ab initio calculations and experimental data

1982 ◽  
Vol 89 (1-2) ◽  
pp. 1-13 ◽  
Author(s):  
György Bánhegyi ◽  
Géza Fogarasi ◽  
Péter Pulay
Keyword(s):  
Experimental Data ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational Assignment

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

Infrared and Raman spectra, vibrational assignment, and ab initio calculations of fluoromalononitrile

1997 ◽  
Vol 53 (12) ◽  
pp. 2001-2012 ◽  
Author(s):  
M. Dakkouri ◽  
A. Grunvogel-Hurst ◽  
Gamil A. Guirgis ◽  
Zhenhong Yu ◽  
Yanping Jin ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment
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