ABINITIO CALCULATIONS OF THE SINGLET TRIPLET ENERGY DIFFERENCE IN PHENYLNITRENE

被引：120

作者：

HROVAT, DA ^{[1
]}

WAALI, EE ^{[1
]}

BORDEN, WT ^{[1
]}

机构：

[1] UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1992年 / 114卷 / 22期

关键词：

D O I：

10.1021/ja00048a052

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：8698 / 8699

页数：2

共 22 条

[1] ENERGETICS AND SPIN-DOUBLET AND LAMBDA-DOUBLET SELECTIVITY IN THE INFRARED MULTIPHOTON DISSOCIATION HN3(X1A')-]N2(X1-SIGMA-G+)+NH(X3-SIGMA-,A1-DELTA) - THEORY [J].

ALEXANDER, MH ;

WERNER, HJ ;

DAGDIGIAN, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (03) :1388-1400

[2]

Borden W. T., 1982, DIRADICALS, P1

[3] EFFECTS OF ELECTRON REPULSION IN CONJUGATED HYDROCARBON DIRADICALS [J].

BORDEN, WT ;

DAVIDSON, ER .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (14) :4587-4594

[4]

BRAUMAN JI, COMMUNICATION

[5] ELECTRON CORRELATION, BASIS-SETS, AND THE METHYLENE SINGLET TRIPLET GAP [J].

CARTER, EA ;

GODDARD, WA .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (02) :862-865

[6]

DAVIDSON ER, 1982, DIRADICALS, P73

[7] VINYLMETHYLENE - THEORETICAL INVESTIGATIONS [J].

DAVIS, JH ;

GODDARD, WA ;

BERGMAN, RG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (08) :2427-2434

[8] ELECTRON PHOTODETACHMENT FROM PHENYLNITRENE, ANILIDE, AND BENZYL ANIONS - ELECTRON-AFFINITIES OF THE ANILINO AND BENZYL RADICALS AND PHENYLNITRENE [J].

DRZAIC, PS ;

BRAUMAN, JI .

JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (22) :5285-5290

[9] A DETERMINATION OF THE TRIPLET SINGLET SPLITTING IN PHENYLNITRENE VIA PHOTODETACHMENT SPECTROSCOPY [J].

DRZAIC, PS ;

BRAUMAN, JI .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (12) :3443-3446

[10]

DUPUIS M, 1990, QCPE B, V10, P52

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