Centrifugal distortion analysis of the millimeter-wave spectrum of 2-fluorobenzonitrile and ab initio DFT calculations

2006 ◽  
Vol 236 (1) ◽  
pp. 70-74 ◽  
Author(s):  
Pradeep R. Varadwaj ◽  
A.I. Jaman
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Millimeter Wave ◽  
Wave Spectrum ◽  
Centrifugal Distortion ◽  
Distortion Analysis ◽  
Ab Initio Dft

scholarly journals Millimeter Wave Spectrum and Centrifugal Distortion Analysis of Difluorochloromethane CHF2Cl in the Ground State

1990 ◽  
Vol 45 (9-10) ◽  
pp. 1165-1168 ◽  
Author(s):  
R. Spiehl ◽  
A. Guarnieri
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Wave Spectrum ◽  
Sixth Order ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Vibrational Ground State ◽  
Distortion Analysis

Abstract The rotational spectra of CHF235Cl and CHF237Cl (CFC22) in the vibrational ground state between 42 and 214 GHz are reported. A centrifugal distortion analysis up to the sixth order is carried out.

An approach to the structure and vibrational analysis of cis- and trans-3-chlorostyrene through IR/Raman and INS spectroscopies and theoretical ab initio/DFT calculations

2004 ◽  
Vol 6 (6) ◽  
pp. 1133-1143 ◽  
Author(s):  
J. M. Granadino-Roldán ◽  
M. Fernández-Gómez ◽  
A. Navarro ◽  
T. Peña Ruiz ◽  
U. A. Jayasooriya
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Vibrational Analysis ◽  
Cis And Trans ◽  
Ab Initio Dft
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