Electronic structure, physicochemical characteristics, and stability of polycyclobutadienes View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1997-01

AUTHORS

Yu. B. Vysotskii, O. A. Gorban’, I. N. Solonskii

ABSTRACT

The electron distributions, current distributions, enthalpies of formation, diamagnetic susceptibilities, electric polarizabilities, and the energies of the lowest singlet-singlet and singlet-triplet transitions for a series of polycyclobutadienes C2n+2H4 were calculated within the scope of the PPP method. It was shown that according to the energy and magnetic criteria the molecules of this series can be divided into three groups, the molecules of one of which are presumably stable. More... »

PAGES

1-4

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf02764734

DOI

http://dx.doi.org/10.1007/bf02764734

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1011190028


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