@article {3281,
	title = {DENSITY-FUNCTIONAL CALCULATIONS OF FERMI CONTACT HYPERFINE COUPLING PARAMETERS},
	journal = {Chemical Physics Letters},
	volume = {234},
	number = {4-6},
	year = {1995},
	note = {ISI Document Delivery No.: QK799Times Cited: 29Cited Reference Count: 31},
	month = {Mar},
	pages = {405-412},
	type = {Article},
	abstract = {Fermi contact parameters are calculated with a range of one-particle basis sets and functionals. The parameters are determined at all nuclei in the following eleven radicals: C2H3, C2H2F, CH, NH+, NH, OH+, OH, FH, FF-, CN, NO2. Results show that using Becke{\textquoteright}s new three-parameter exchange functional leads to improved agreement with experiment.},
	keywords = {ACCURATE, APPROXIMATION, CORRELATED MOLECULAR CALCULATIONS, DOUBLE-RESONANCE, EXCHANGE-ENERGY, GAUSSIAN-BASIS SETS, MAGNETIC-RESONANCE SPECTRUM, optical, SPECTROSCOPY, TRANSITION},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1995QK79900022},
	author = {Cohen, M. J. and Chong, D. P.}
}
