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Some calculations of the local diamagnetic contribution to nuclear screening constants

✍ Scribed by M. Jallali-Heravi; G. A. Webb; M. Witanowski

Publisher
John Wiley and Sons
Year
1979
Tongue
English
Weight
447 KB
Volume
12
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

Some INDO/S parameterized calculations of local diamagnetic contributions to some carbon and nitrogen screening constants are reported. It is shown that Pople's local term model provides data which are in satisfactory agreement with X‐ray photoelectron results. The restricted atom‐dipole model also provides reasonable agreement. However the complete atom‐dipole expression is found to be incompatible with the experimental data due to the presence of a non‐local contribution.

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