TRIPLET-STATES VIA INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP - BENZENE, PYRIDINE AND DIAZINES

被引:776
作者
RIDLEY, JE [1 ]
ZERNER, MC [1 ]
机构
[1] UNIV GUELPH,GUELPH WATERLOO CTR GRAD WORK CHEM,DEPT CHEM,GUELPH N1G 2W1,ONTARIO,CANADA
来源
THEORETICA CHIMICA ACTA | 1976年 / 42卷 / 03期
关键词
D O I
10.1007/BF00574445
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:223 / 236
页数:14
相关论文
共 48 条
[1]  
AMOS AT, 1964, J CHEM PHYS, V41, P1773
[2]   First allowed triplet-triplet transition in benzene [J].
Astier, R. ;
Meyer, Y. H. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (06) :399-401
[3]  
BAGUS PS, 1965, PHYS REVS A, V619, P139
[4]   THE STRUCTURE OF HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN .1. CRYSTAL AND MOLECULAR STRUCTURE OF S-TETRAZINE [J].
BERTINOTTI, F ;
GIACOMELLO, G ;
LIQUORI, AM .
ACTA CRYSTALLOGRAPHICA, 1956, 9 (05) :510-514
[5]   Assignment of two electronic states of benzene [J].
Birks, J. B. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (08) :567-568
[6]   DOUBLY EXCITED CONFIGURATIONS IN MODIFIED CNDO AND INDO METHODS [J].
BRABANT, C ;
SALAHUB, DR .
THEORETICA CHIMICA ACTA, 1971, 23 (03) :285-&
[7]  
BUNCE NJ, TO BE PUBLISHED
[8]   USE OF CNDO METHOD IN SPECTROSCOPY .14. ELECTRONIC-SPECTRA OF FREE-RADICALS AND FREE-RADICAL IONS [J].
CHANG, HM ;
JAFFE, HH ;
MASMANIDIS, CA .
JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (11) :1118-1129
[9]   CORRELATION EFFECTS IN LOW-LYING EXCITED-STATES OF PPP MODELS OF ALTERNANT HYDROCARBONS .1. QUALITATIVE RULES FOR EFFECT OF LIMITED CONFIGURATION INTERACTION [J].
CIZEK, J ;
PALDUS, J ;
HUBAC, I .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) :951-970
[10]  
CIZEK J, 1974, INT J QUANTUM CHEM S, P293