AB-INITIO AMO CALCULATION OF LOWEST SINGLET-TRIPLET SEPARATION IN BENZENE

被引：12

作者：

GILMAN, RR

DEHEER, J

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1970年 / 52卷 / 08期

关键词：

D O I：

10.1063/1.1673639

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：4287 / &

共 26 条

[1] VIBRONIC-SPIN-ORBIT PERTURBATIONS AND ASSIGNMENT OF LOWEST TRIPLET STATE OF BENZENE [J].

ALBRECHT, AC .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (02) :354-&

[2]

ALBRECHT AC, 1960, J CHEM PHYS, V33, P157

[3] SINGLE DETERMINANT WAVE FUNCTIONS [J].

AMOS, AT ;

HALL, GG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+

[4] AB INITIO SCF MO AND CI CALCULATIONS ON ELECTRONIC SPECTRUM OF BENZENE [J].

BUENKER, RJ ;

WHITTEN, JL ;

PETKE, JD .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) :2261-&

[5] SINGLET-TRIPLET TRANSITIONS IN P-DIHALOGENATED BENZENES [J].

CASTRO, G ;

HOCHSTRASSER, RM .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (09) :3617-+

[6] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .3. PYRROLE GROUND-STATE WAVEFUNCTION [J].

CLEMENTI, E ;

CLEMENTI, H ;

DAVIS, DR .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) :4725-&

[7] BARRIER TO INTERNAL ROTATION IN ETHANE [J].

CLEMENTI, E ;

DAVIS, DR .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) :2593-+

[8]

FROMAN A, 1960, REV MOD PHYS, V32, P179

[9] SIGMA AND PI ELECTRONIC REORGANIZATION IN ACETYLENE [J].

GRIFFITH, MG ;

GOODMAN, L .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) :4494-&

[10]

GROOT MSD, 1963, MOL PHYS, V6, P545

← 1 2 3 →