Conformational Dependence of the Circular Dichroism Spectra of Single Amino Acids from Plane-Waves-Based Density Functional Theory Calculations

2015 ◽  
Vol 119 (14) ◽  
pp. 4803-4811 ◽  
Author(s):  
E. Molteni ◽  
G. Onida ◽  
G. Tiana
Keyword(s):  
Amino Acids ◽  
Density Functional Theory ◽  
Circular Dichroism ◽  
Density Functional ◽  
Plane Waves ◽  
Density Functional Theory Calculations ◽  
Circular Dichroism Spectra ◽  
Functional Theory ◽  
Circular Dichroïsm

Revising the Absolute Configurations of Coatlines via Density Functional Theory Calculations of Electronic Circular Dichroism Spectra

Chirality ◽  
2012 ◽  
Vol 25 (3) ◽  
pp. 180-184 ◽  
Author(s):  
Gregory Genta-Jouve ◽  
Lionel Weinberg ◽  
Vincent Cocandeau ◽  
Yannick Maestro ◽  
Olivier Paul Thomas ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Circular Dichroism Spectra ◽  
Functional Theory ◽  
Electronic Circular Dichroism ◽  
The Absolute ◽  
Circular Dichroïsm
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