Time Dependent Density Functional Theory Modeling of Chiroptical Properties of Small Amino Acids in Solution

2006 ◽  
Vol 110 (11) ◽  
pp. 4115-4123 ◽  
Author(s):  
Matthew D. Kundrat ◽  
Jochen Autschbach
Keyword(s):  
Amino Acids ◽  
Density Functional Theory ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Chiroptical Properties ◽  
Dependent Density

scholarly journals Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules

2002 ◽  
Vol 117 (2) ◽  
pp. 581-592 ◽  
Author(s):  
Jochen Autschbach ◽  
Serguei Patchkovskii ◽  
Tom Ziegler ◽  
Stan J. A. van Gisbergen ◽  
Evert Jan Baerends
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Organic Molecules ◽  
Time Dependent ◽  
Functional Theory ◽  
Chiroptical Properties ◽  
Optical Rotations ◽  
Dependent Density
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