Determination of Absolute Configuration Using Optical Rotation Calculated Using Density Functional Theory-Reference-Cited by-同舟云学术

Determination of Absolute Configuration Using Optical Rotation Calculated Using Density Functional Theory

Published:2002-11-27 Issue:26 Volume:4 Page:4595-4598
ISSN:1523-7060
Container-title:Organic Letters
language:en
Short-container-title:Org. Lett.

Author:

Stephens P. J.¹,Devlin F. J.¹,Cheeseman J. R.¹,Frisch M. J.¹,Rosini C.¹

Affiliation:

1. Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, Gaussian Inc., 140 Washington Avenue, North Haven, Connecticut 06473, and Dipartimento di Chimica, Università della Basilicata, Via N. Sauro 85, 85100 Potenza, Italy

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ol0201714

Reference19 articles.

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

2. (b) Stephens, P. J.; Devlin, F. J.; Cheeseman, J. R.; Frisch, M. J.; Mennucci, B.; Tomasi, J.Tetrahedron: Asymmetry2000,11, 2443.

3. Calculation of Optical Rotation Using Density Functional Theory

4. Ab initio prediction of optical rotation: Comparison of density functional theory and Hartree-Fock methods for three 2,7,8-trioxabicyclo[3.2.1]octanes

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