THEORETICAL STUDY OF SUBSTITUTED BENZENES .3. FLUOROBENZENES

被引：20

作者：

CHALVET, O

LEIBOVIC.C

机构：

[1] Centre de Mécanique Ondulatoire Appliquée du C.N.R.S., Paris

来源：

THEORETICA CHIMICA ACTA | 1969年 / 13卷 / 04期

关键词：

D O I：

10.1007/BF00529021

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The Pariser-Parr-Pople method is applied for the electronic study of twelve fluorobenzenes in previously detailed numerical conditions. The substitution effects on electronic spectra are discussed in transfer terms. The energies and intensities of electronic transitions are in good agreement with experiment. At last, the electronic densities computed for the ground states allow the verification of the additivity rule. © 1969 Springer-Verlag.

引用

页码：297 / &

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