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[Relation between the carcinogenic activity of conjugated polycyclic hydrocarbons and the form of their localized molecular orbitals].

作者信息

Paniagua J C, Llop J R, Rubio J, Vives M V

出版信息

Rev Esp Oncol. 1982;29(3):481-7.

PMID:6927019
Abstract

The carcinogenic activity of some compounds is linked to the electronic structure of their molecules. The authors calculate the localized molecular orbitals (LMO) by means of a topologic method they have developed, based in the electronic distribution of a single molecular region, that coincides or is next to the K region, instead of having to consider the two classical regions (K and L).

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