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Journal of Molecular Structure: THEOCHEM

Volumn 617, Issue 1-3, 2002, Pages 47-52

Density functional theory calculation of hyperfine coupling constants of small radicals using Becke97-type exchange-correlation functionals

(3) Morihashi, Kenji a Shimodo, Yasuyo a Kikuchi, Osamu a

a UNIVERSITY OF TSUKUBA (Japan)

Author keywords

Density functional theory; Free radicals; Hyperfine coupling constants

Indexed keywords

ALLYL COMPOUND; AMMONIUM DERIVATIVE; FREE RADICAL; METHYL GROUP;

ACCURACY; ARTICLE; ATOM; CALCULATION; CHEMICAL STRUCTURE; CORRELATION FUNCTION; DENSITY FUNCTIONAL THEORY;

EID: 0037206422 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00399-8 Document Type: Article

Times cited : (7)

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