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Resonance integrals in semi-empirical MO theories: Chem. Phys. Letters

Book ID: 103018624
Publisher: Elsevier Science
Year: 1979
Tongue: English
Weight: 43 KB
Volume: 61
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(79)80678-8

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📜 SIMILAR VOLUMES

Resonance integrals in semi-empirical MO

Resonance integrals in semi-empirical MO theories

✍ S. De Bruijn 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 778 KB

On a relation proposed by Linderberg for

On a relation proposed by Linderberg for the resonance integral in semi-empirical theories

✍ D. Kracht; W.C. Nieuwpoort 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 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