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Electronic structure and spectra of tetrathiotetracene and related molecules

✍ Scribed by Á.I. Kiss; M. Kertész; P. Čársky; H. Wedel


Publisher
Elsevier Science
Year
1979
Tongue
French
Weight
260 KB
Volume
35
Category
Article
ISSN
0040-4020

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Ab initio SCF >I0 calculations are reported for benzene, s-triazine, borazinc and boroxine. The Laplacian of the charge density and the hlullilien population analysis procedure demonstrate that the dclocalization of the 'IT electrons decreases and rhc polariry of the ring bonds increases substantial