Calculation of Vibrational Spectra of Large Molecules from Their Fragments

2017 ◽  
pp. 181-197 ◽  
Author(s):  
Shigeki Yamamoto ◽  
Petr Bouř
Keyword(s):  
Vibrational Spectra ◽  
Large Molecules ◽  
Calculation Of Vibrational Spectra

Nonempirical SQM FF calculation of vibrational spectra for the acetonitrile molecule coordinated to Lewis acids BF3 and BCl3

1992 ◽  
Vol 48 (2) ◽  
pp. 569-574 ◽  
Author(s):  
M. A. Ablaeva ◽  
G. M. Zsidomirov ◽  
A. G. Pelmenshchikov ◽  
E. B. Burgina ◽  
V. P. Baltakhinov
Keyword(s):  
Vibrational Spectra ◽  
Lewis Acids ◽  
Acetonitrile Molecule ◽  
Calculation Of Vibrational Spectra

scholarly journals Selected Aspects Concerning the Efficient Calculation of Vibrational Spectra beyond the Harmonic Approximation

2012 ◽  
Vol 85 (4) ◽  
pp. 379-390 ◽  
Author(s):  
Dominik Oschetzki ◽  
Michael Neff ◽  
Patrick Meier ◽  
Florian Pfeiffer ◽  
Guntram Rauhut
Keyword(s):  
Vibrational Spectra ◽  
Harmonic Approximation ◽  
Efficient Calculation ◽  
Calculation Of Vibrational Spectra

Calculation of vibrational spectra of some tetraphenyl porphyrins

2016 ◽  
Vol 114 (5) ◽  
pp. 643-649 ◽  
Author(s):  
K. Srinivasa Rao ◽  
K. Girija Sravani
Keyword(s):  
Vibrational Spectra ◽  
Calculation Of Vibrational Spectra
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