Calculation of the nuclear magnetic shielding of 29Si, 31P, 33S and 35Cl using a pseudo-potential method
- 1 October 1978
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 36 (4) , 1025-1035
- https://doi.org/10.1080/00268977800102141
Abstract
The nuclear magnetic shielding of 29Si, 31P, 33S and 35Cl in SiH4, PH3, SH2 and ClH has been computed. The inner shells of the heavy atom are not introduced in the calculation for the molecule. Their effect on the valence shell is represented by a pseudo-potential. The agreement with available theoretical and experimental values is satisfactory.Keywords
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