COMPARATIVE BORAZAROBENZENES CALCULATIONS FOLLOWING DIFFERENT METHODS

被引：12

作者：

CARBO, R

DEGIAMBI.MS

GIAMBIAG.M

机构：

[1] Instituto Químico de Sarriá, Barcelona

[2] Lab. di Chimica, Istituto Superiore di Sanità, Roma

[3] Gruppo Chimica Teorica del C.N.R., Roma

[4] Buenos Aires, 6-24

来源：

THEORETICA CHIMICA ACTA | 1969年 / 14卷 / 02期

关键词：

D O I：

10.1007/BF00528231

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：

Borazarobenzenes are studied with different approaches, some treating only π electrons and others including all valence electrons. The importance of the total net electronic density for interpreting the chemical behaviour of the molecules is stressed. All methods agree in assigning fairly high values to dipole moments. Disagreeing conclusions about other properties in the different methods are analyzed. © 1969 Springer-Verlag.

引用

页码：147 / &

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