Density functional theory calculations of optical rotation: Employment of ADZP and its comparison with other basis sets
Author:
Publisher
Wiley
Subject
Organic Chemistry,Spectroscopy,Drug Discovery,Pharmacology,Catalysis,Analytical Chemistry
Reference34 articles.
1. Quantenmechanische Theorie der nat�rlichen optischen Aktivit�t von Fl�ssigkeiten und Gasen
2. A comparison of ab initio optical rotations obtained with static and dynamic methods
3. Theory-Assisted Determination of Absolute Stereochemistry for Complex Natural Products via Computation of Molar Rotation Angles
4. Ab initio theoretical optical rotations of small molecules
5. Hartree−Fock and Density Functional Theory ab Initio Calculation of Optical Rotation Using GIAOs: Basis Set Dependence
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