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Ab initio UHF calculations of hyperfine coupling constants

✍ Scribed by T.A. Claxton; D. McWilliams; N.A. Smith

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
193 KB
Volume
4
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab iw?ioUIIF calculations using a minimal basis set of orbitals for the radicals H.-,S, H9S', NHzi, =+, cn3and NH7 predict the h)Terfine coupling constants to all nuclei with a consiCknt rr&urac-lf SCP ato6ic orbital: are used. Recently [l] it has been suggested that there is generally poor agreement between the calcu-

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