Calculations of Isotropic Hyperfine Coupling Constants of Organic Radicals. An Evaluation of Semiempirical, Hartree−Fock, and Density Functional Methods-Reference-Cited by-同舟云学术

Calculations of Isotropic Hyperfine Coupling Constants of Organic Radicals. An Evaluation of Semiempirical, Hartree−Fock, and Density Functional Methods

Published:1996-01-01 Issue:47 Volume:100 Page:18371-18379
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Batra Rohit¹,Giese Bernd¹,Spichty Martin¹,Gescheidt Georg²,Houk K. N.³

Affiliation:

1. Institute of Organic Chemistry, University Basel, St. Johanns-Ring 19, 4056 Basel, Switzerland

2. Institute of Physical Chemistry, University Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland

3. Department of Chemistry and Biochemistry, UCLA, 405 Hilgard Avenue, Los Angeles, California

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/jp961696e

Reference82 articles.

1. Gerson, F.High-Resolution ESR-Spectroscopy; Verlag Chemie: Weinheim, 1967.

2. Calculation of hyperfine splitting constants with Slater‐type cusp basis by the symmetry adapted cluster‐configuration interaction theory

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