The ORP basis set designed for optical rotation calculations-Reference-Cited by-同舟云学术

The ORP basis set designed for optical rotation calculations

Published:2013-06-05 Issue:23 Volume:34 Page:2006-2013
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Baranowska-Łączkowska Angelika¹,Łączkowski Krzysztof Z.²

Affiliation:

1. Institute of Physics; Kazimierz Wielki University; Plac Weyssenhoffa 11; PL-85072; Bydgoszcz; Poland

2. Department of Chemical Technology and Pharmaceuticals; Faculty of Pharmacy, Nicolaus Copernicus University; 2 Jurasz St.; PL-85089; Bydgoszcz; Poland

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23347/fullpdf

Reference67 articles.

1. Ab initio molecular optical rotations and absolute configurations

2. Atomic Contributions to the Optical Rotation Angle as a Quantitative Probe of Molecular Chirality

3. Hartree−Fock and Density Functional Theory ab Initio Calculation of Optical Rotation Using GIAOs: Basis Set Dependence

4. Zero-point vibrational effects on optical rotation

5. Calculation of Optical Rotation Using Density Functional Theory

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