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A comment on some approximations for the resonance integrals used in semi-empirical calculations

โœ Scribed by R.J. Wratten


Book ID
107731255
Publisher
Elsevier Science
Year
1968
Tongue
English
Weight
156 KB
Volume
1
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


On a relation proposed by Linderberg for
โœ D. Kracht; W.C. Nieuwpoort ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 246 KB

It is shown that the relation proposed by Linderberg for the resonance integral in MO theory cannot be applied In CNDO theory. In PPP theory where the relation. gives correct values for the resonance integral. it can be used to simpbfy substantially the expresslons appearing in the treatment of opti