Time-Dependent Density Functional Calculations of Optical Rotatory Dispersion Including Resonance Wavelengths as a Potentially Useful Tool for Determining Absolute Configurations of Chiral Molecules
Author:
Affiliation:
1. Department of Chemistry, 312 NSC, State University of New York at Buffalo, Buffalo, New York 14260-3000, and Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp054847z
Reference64 articles.
1. Absolute Stereochemistry of Chiral Molecules from ab Initio Theoretical and Experimental Molecular Optical Rotations
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3. Ab Initio Calculation of Optical Rotation in (P)-(+)-[4]Triangulane
4. Ab Initio Calculation of Optical Rotatory Dispersion (ORD) Curves: A Simple and Reliable Approach to the Assignment of the Molecular Absolute Configuration
5. Structure−Property Relationships of Prototypical Chiral Compounds: Case Studies,
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