✦ LIBER ✦

MINDO/3 calculations of ESCA chemical shifts

✍ Scribed by M.J.S. Dewar; D.H. Lo

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 162 KB
Volume: 33
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)80160-6

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✦ Synopsis

Czkulations

al ESCA chemical shifts, using Jolly's equivalent core approximation 2nd the MIND0/3 semi~1~pIk5 SCF hIC? method, hzve given resu!ts in resonable agreement with experiment.

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