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A Remark on Pople's Induced Current Theory

 

作者: Hajime Katô,   Hiroshi Kato,   Teijiro Yonezawa,  

 

期刊: Spectroscopy Letters  (Taylor Available online 1969)
卷期: Volume 2, issue 9  

页码: 267-271

 

ISSN:0038-7010

 

年代: 1969

 

DOI:10.1080/00387016908050207

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

A very widely known and widely used[1]expression to calculate a nuclear magnetic shielding constant by combining the effect of diamagnetic and paramagnetic atomic currents on each atom was given by Pople.[2,3]In the present article, we will present a remark on a restriction to the applicablity of Pople's induced current theory.[2,3]To simplify the discussion, we will deal with a simple hydride MH, in which paramagnetic circulation can occur only in the atom M. The rectangular coordinates x, y and z are taken as Fig. 1.

 

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