A CNDO CI Study of the Electronic Spectrum of Biphenyl
作者:
B. Tinland,
期刊:
Spectroscopy Letters
(Taylor Available online 1969)
卷期:
Volume 2,
issue 1
页码: 25-30
ISSN:0038-7010
年代: 1969
DOI:10.1080/00387016908050009
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
A number of semi-empirical methods for approximation to full LCAO-SCF calculations have been developed in recent years. Of these, the CNDO method of Pople and coworkers limited to valence-shell electrons is of particular interest since it takes proper account of electronic repulsion and introduces the symplifying ZDO approximation into the Roothaan equations1-6.
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