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Problems of the calculation of intermolecular interactions on complexes with strong delocalized π-bonds within the PCILO framework

✍ Scribed by R. Lochmann

Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
400 KB
Volume
12
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Strong delocalized π‐bonds must be approximated by localized π‐bonds within the PCILO framework. From this approximation some difficulties result in the calculation of intermolecular interactions. If only one subsystem involves delocalized π‐bonds the difficulties seem to be not very important. But if both subsystems involve such bonds, the PCILO results are not reasonable in some cases.

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