Ab Initio Calculation of Vibrational Circular Dichroism Spectra of Chiral Natural Products Using MP2 Force Fields: Camphor

1994 ◽  
Vol 116 (11) ◽  
pp. 5003-5004 ◽  
Author(s):  
F. J. Devlin ◽  
P. J. Stephens
Keyword(s):  
Natural Products ◽  
Circular Dichroism ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Force Fields ◽  
Vibrational Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Circular Dichroïsm

Ab Initio Calculation of Vibrational Circular Dichroism Spectra Using Gauge-Invariant Atomic Orbitals

1995 ◽  
Vol 99 (41) ◽  
pp. 14918-14922 ◽  
Author(s):  
K. L. Bak ◽  
F. J. Devlin ◽  
C. S. Ashvar ◽  
P. R. Taylor ◽  
M. J. Frisch ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Vibrational Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Gauge Invariant ◽  
Atomic Orbitals ◽  
Circular Dichroïsm

Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase

2012 ◽  
Vol 3 (13) ◽  
pp. 1766-1773 ◽  
Author(s):  
Chiara Cappelli ◽  
Julien Bloino ◽  
Filippo Lipparini ◽  
Vincenzo Barone
Keyword(s):  
Circular Dichroism ◽  
Ab Initio ◽  
Condensed Phase ◽  
Vibrational Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Circular Dichroïsm
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