Evaluation of MNDO approximation in quantum-chemical calculations of anisotropic hyperfine coupling tensors in free radicals

Authors
Chuvylkin, ND Tokmachev, AM
Citation
Nd. Chuvylkin et Am. Tokmachev, Evaluation of MNDO approximation in quantum-chemical calculations of anisotropic hyperfine coupling tensors in free radicals, RUSS CHEM B, 48(12), 1999, pp. 2216-2221
Citations number
18
Categorie Soggetti
Chemistry
Journal title
RUSSIAN CHEMICAL BULLETIN
ISSN journal
10665285 → ACNP
Volume
48
Issue
12
Year of publication
1999
Pages
2216 - 2221
Database
ISI
SICI code
1066-5285(199912)48:12<2216:EOMAIQ>2.0.ZU;2-D
Abstract
The MNDO approximation was tested for applicability in quantum-chemical cal culations of anisotropic hyperfine coupling tensors using the same set of 1 7 free radicals as that used previously in evaluating a new procedure for q uantum-chemical estimates of constants of isotropic hyperfine coupling with protons in the framework of the same approach.