Ab Initio Studies of Solvent Effects on Molecular Conformation and Vibrational Spectra of Diglycine Zwitterion

2003 ◽  
Vol 107 (51) ◽  
pp. 11391-11400 ◽  
Author(s):  
G. Nandini ◽  
D. N. Sathyanarayana
Keyword(s):  
Ab Initio ◽  
Vibrational Spectra ◽  
Solvent Effects ◽  
Molecular Conformation

Vibrational spectra and molecular conformation of ciliatine

1993 ◽  
Vol 298 ◽  
pp. 1-11 ◽  
Author(s):  
Keiichi Ohno ◽  
Yoshitaka Mandai ◽  
Hiroatsu Matsuura
Keyword(s):  
Vibrational Spectra ◽  
Molecular Conformation

Vibrational spectra of stannane: Harmonic force field, Raman and IR intensities from ab initio correlated wavefunctions

1989 ◽  
Vol 130 (1-3) ◽  
pp. 451-456 ◽  
Author(s):  
Javier Fernandez Sanz ◽  
Antonio Marquez ◽  
Claude Pouchan
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Harmonic Force ◽  
Ir Intensities

Conformational stability, vibrational spectra and ab initio calculations for chloromethyl methyl silane and chloromethyl methyl difluorosilane

1999 ◽  
Vol 480-481 ◽  
pp. 147-151 ◽  
Author(s):  
Gamil A. Guirgis ◽  
Yasser E. Nashed ◽  
James B. Robb II ◽  
Peter Klaeboe ◽  
Pengqian Zhen ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Conformational Stability
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