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Some screening constant calculations for carbon, nitrogen, and oxygen nuclei

✍ Scribed by K.A.K Ebraheem; G.A Webb

Publisher: Elsevier Science
Year: 1978
Weight: 284 KB
Volume: 30
Category: Article
ISSN: 0022-2364
DOI: 10.1016/0022-2364(78)90096-3

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A study of the use of MINDO/3 parameters

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## Abstract The calculation of some carbon and nitrogen screening constants and chemical shifts is reported. The independent electron theory developed by Pople is used as the basis of the calculations. Within this framework the MINDO/3 parameterization scheme is employed and shown to provide quanti