ELECTRONIC-STRUCTURE (CNDO/2 METHOD) OF BORAZANE AND ITS PERFLUORO DERIVATIVES

被引:4
作者
BACH, MC [1 ]
机构
[1] UNIV PAUL SABATIER,CNRS,LAB CHIM COORDINATION,TOULOUSE 31400,FRANCE
关键词
D O I
10.1051/jcp/1972691775
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:1775 / 1771
页数:5
相关论文
共 16 条
[1]   CALCULATION OF ELECTRONIC STRUCTURES AND GAS-PHASE HEATS OF FORMATION OF BH3,NH3 AND BH3,CO [J].
ARMSTRON.DR ;
PERKINS, PG .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (07) :1044-&
[2]  
ARMSTRONG DR, 1969, VOLUME COMMEMORATIF, P47
[3]  
BACH MA, IN PRESS
[4]  
GALLAIS F, 1966, J CHIM PHYS, V3, P413
[5]   LOCALIZED CHARGE DISTRIBUTIONS - INTERNAL-ROTATION BARRIER IN BORAZANE [J].
GORDON, MS ;
ENGLAND, W .
CHEMICAL PHYSICS LETTERS, 1972, 15 (01) :59-&
[6]   EXTENDED HUCKEL THEORY .3. COMPOUNDS OF BORON + NITROGEN [J].
HOFFMAN, R .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (09) :2474-&
[7]  
HOFFMANN R, 1963, J CHEM PHYS, V39, P1937
[8]  
MARTENSSON O, 1972, J MOL STRUCT, V12, P405, DOI 10.1016/0022-2860(72)87048-0
[9]  
MOIREAU C, 1968, THEORET CHIM ACTA, V11, P344
[10]  
POPLE JA, 1966, J CHEM PHYS, V44, P3239