Force Field and Assignment of the Vibrational Spectrum of Anthracene:  Theoretical Prediction

1996 ◽  
Vol 100 (33) ◽  
pp. 13963-13970 ◽  
Author(s):  
D. Chakraborty ◽  
R. Ambashta ◽  
S. Manogaran
Keyword(s):  
Vibrational Spectrum ◽  
Theoretical Prediction ◽  
Force Field

The Vibrational Spectrum and Urey-Bradley Force Constants of the Trifluoromethyltrifluoroborate(1-) Anion

1973 ◽  
Vol 27 (3) ◽  
pp. 209-213 ◽  
Author(s):  
John F. Jackovitz ◽  
Charles E. Falletta ◽  
James C. Carter
Keyword(s):  
Potential Energy ◽  
Vibrational Spectrum ◽  
Energy Distribution ◽  
Force Field ◽  
Raman Spectra ◽  
Normal Modes ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate

Infrared and Raman spectra for (K+) (CF3BF3−) have been obtained from 4000 to 50 cm−1. Spectral assignments were made on the basis of C3v symmetry using both 10B and 11B compounds. In addition, a normal coordinate analysis was performed to obtain the potential energy distribution of the normal modes. A Urey-Bradley type force field was used, and force constants obtained for the CF3 and BF3 groupings were compared to those in C2F6 and BF4−.

Vibrational spectrum and force field of uranium hexafluoride

1974 ◽  
Vol 61 (9) ◽  
pp. 3571-3580 ◽  
Author(s):  
Robin S. McDowell ◽  
Larned B. Asprey ◽  
Robert T. Paine
Keyword(s):  
Vibrational Spectrum ◽  
Force Field ◽  
Uranium Hexafluoride

Vibrational spectrum and force field of molybdenum hexafluoride

1975 ◽  
Vol 62 (10) ◽  
pp. 3974-3978 ◽  
Author(s):  
Robin S. McDowell ◽  
Ruth J. Sherman ◽  
Larned B. Asprey ◽  
R. Craig Kennedy
Keyword(s):  
Vibrational Spectrum ◽  
Force Field ◽  
Molybdenum Hexafluoride
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