MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY

被引:262
作者
BUENKER, RJ
PEYERIMH.SD
机构
[1] UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508
[2] UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,WEST GERMANY
关键词
D O I
10.1021/cr60288a002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:127 / 188
页数:62
相关论文
共 184 条
[1]   EXTENDED HUCKEL THEORY AND SHAPE OF MOLECULES [J].
ALLEN, LC ;
RUSSELL, JD .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :1029-&
[2]   SHAPE OF MOLECULES [J].
ALLEN, LC .
THEORETICA CHIMICA ACTA, 1972, 24 (2-3) :117-&
[3]  
ALLEN LC, 1970, SIGMA MOLECULAR ORBI
[4]   THERMAL CIS-TRANS ISOMERIZATION OF DIIMIDE . A THEORETICAL STUDY [J].
ALSTER, J ;
BURNELLE, LA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (05) :1261-&
[5]   THEORETICAL INVESTIGATION OF ELECTRONIC STRUCTURE AND PROPERTIES OF N3-, N3, AND N3+ [J].
ARCHIBAL.TW ;
SABIN, JR .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) :1821-&
[6]   AB-INITIO STUDY OF GEOMETRIES, JAHN-TELLER DISTORTIONS, AND ELECTRONIC CHARGE DISTRIBUTION IN CH4+ION [J].
ARENTS, J ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :73-&
[7]   SOME NEW EMISSION BANDS OF MOLECULAR OXYGEN [J].
ARNOLD, SJ ;
WITZKE, H ;
OGRYZLO, EA .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (06) :1769-&
[9]   VIBRATIONALLY INDUCED PERTURBATIONS IN MOLECULAR ELECTRON DISTRIBUTIONS [J].
BADER, RFW .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1962, 40 (06) :1164-&
[10]   MOLECULAR GEOMETRY - BONDED VERSUS NONBONDED INTERACTIONS [J].
BARTELL, LS .
JOURNAL OF CHEMICAL EDUCATION, 1968, 45 (12) :754-+