THEORY OF SPIN-ORBIT-COUPLING - APPLICATION TO SINGLET-TRIPLET INTERACTION IN THE TRIMETHYLENE BIRADICAL

被引：128

作者：

FURLANI, TR ^{[1
]}

KING, HF ^{[1
]}

机构：

[1] SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 82卷 / 12期

关键词：

D O I：

10.1063/1.448967

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：5577 / 5583

页数：7

共 41 条

[1]

BERGMAN RG, 1973, FREE RADICALS, V1, pCH5

[2]

Berson J. A., 1980, REARRANGEMENTS GROUN, V1, P311

[3] THERMAL REARRANGEMENTS [J].

BERSON, JA .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1977, 28 :111-132

[4] ABINITIO CALCULATION OF SPIN-ORBIT INTERACTION IN POLYATOMIC-MOLECULES USING GAUSSIAN-TYPE WAVEFUNCTIONS [J].

BREULET, J .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (03) :244-250

[5] PHOTOCHEMISTRY OF 2,3-DIAZABICYCLO[2.2.2]OCT-2-ENE [J].

CLARK, WDK ;

STEEL, C .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (24) :6347-&

[6]

CONDIT PB, 1971, CHEM COMMUN, P4

[7] CHEMISTRY OF TRIPLET VS SINGLET BIRADICALS - AN ABINITIO MCSCF STUDY OF TRIMETHYLENE [J].

DOUBLEDAY, C ;

MCIVER, JW ;

PAGE, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (24) :6533-6542

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[9] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS [J].

DUPUIS, M ;

RYS, J ;

KING, HF .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :111-116

[10]

Edmonds A. R., 1960, ANGULAR MOMENTUM QUA

← 1 2 3 4 5 →