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.
点击下载:
PDF (146KB)
返 回