ORTHOGONALIZED HYBRID ORBITALS IN THEORETICAL STUDY OF POLYATOMIC SYSTEMS .1. SATURATED-HYDROCARBONS

被引:22
作者
DEPLUS, A [1 ]
LEROY, G [1 ]
PEETERS, D [1 ]
机构
[1] UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANTIQUE,PL LOUIS PASTEUR 1,B1348 LOUVAIN,BELGIUM
来源
THEORETICA CHIMICA ACTA | 1974年 / 36卷 / 02期
关键词
D O I
10.1007/BF00554342
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
引用
收藏
页码:109 / 115
页数:7
相关论文
共 14 条
[11]   DESCRIPTION ET APPLICATION DUNE METHODE DE HUCKEL GENERALISEE .I. LEVALUATION SEMI-EMPIRIQUE DES INTEGRALES MOLECULAIRES [J].
LEROY, G ;
JASPERS, S .
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1967, 64 (03) :455-&
[12]   MOLECULAR ORBITAL THEORY FOR LARGE MOLECULES . APPROXIMATION OF SCF LCAO HAMILTONIAN MATRIX [J].
NEWTON, MD ;
BOER, FP ;
LIPSCOMB, WN .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (11) :2353-&
[13]   LCAO MO CALCULATIONS ON SATURATED HYDROCARBONS AND THEIR SUBSTITUTED DERIVATIVES [J].
SANDORFY, C .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1955, 33 (08) :1337-1351
[14]  
SANDORFY C, 1954, COMPT REND, P238