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

页码：223 / 236

页数：14

共 48 条

[11] ACCURAT ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR ATOMS .2. LOWEST CONFIGURATIONS OF NEUTRAL FIRST ROW ATOMS [J].

CLEMENTI, E ;

YOSHIMINE, M ;

ROOTHAAN, CC .

PHYSICAL REVIEW, 1962, 127 (05) :1618-&

[12] RADIATIONLESS PATHS IN DIAZINES [J].

COHEN, BJ ;

GOODMAN, L .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (02) :713-&

[13]

DELBENE J, 1968, J CHEM PHYS, V48, P4050

[14]

DELBENE J, 1968, J CHEM PHYS, V48, P1807

[15]

DELBENE JE, 1971, J CHEM PHYS, V55, P2236, DOI 10.1063/1.1676398

[16] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .9. STUDY OF -]PI] TRANSITION ENERGIES IN SMALL MOLECULES [J].

DITCHFIELD, R ;

DELBENE, JE ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (03) :703-+

[17] LOW-ENERGY ELECTRON-IMPACT STUDY OF FIRST, SECOND, AND THIRD TRIPLET STATES OF BENZENE [J].

DOERING, JP .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07) :2866-&

[18]

DOERING JP, 1973, J CHEM PHYS, V58, P5832

[19] USE OF CNDO METHOD IN SPECTROSCOPY .6. FURTHER N-PI TRANSITIONS [J].

ELLIS, RL ;

JAFFE, HH ;

KUEHNLEN.G .

THEORETICA CHIMICA ACTA, 1972, 26 (02) :131-&

[20]

ELSAYED MA, 1969, MOLECULAR LUMINESCEN, P715

← 1 2 3 4 5 →