THEORETICAL-ANALYSIS OF THE VIBRATIONAL STRUCTURE OF THE T-[-N TRANSITION IN ETHYLENE

被引：18

作者：

SIEBRAND, W

ZERBETTO, F

ZGIERSKI, MZ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 91卷 / 10期

关键词：

D O I：

10.1063/1.457462

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：5926 / 5933

页数：8

共 21 条

[1] EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].

CLARK, T ;

CHANDRASEKHAR, J ;

SPITZNAGEL, GW ;

SCHLEYER, PV .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301

[2]

COMER J, COMMUNICATION

[3]

Duncanand J.L., 1981, J MOL STRUCT, V76, P65

[4]

DUPUIS M, 1980, QG01 LAWR BERK LAB P

[5]

DUSHINSKY F, 1937, ACTA PHYSICOCHIM USS, V7, P551

[6] MAGNETIC PETURBATION OF SINGLET-TRIPLET TRANSITIONS .4. UNSATURATED COMPOUNDS [J].

EVANS, DF .

JOURNAL OF THE CHEMICAL SOCIETY, 1960, (APR) :1735-1745

[7] NEW EXPERIMENTAL TESTS OF EXISTING INTERPRETATIONS OF ELECTRONIC-TRANSITIONS OF ETHYLENE [J].

FOO, PD ;

INNES, KK .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4582-4589

[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS [J].

FRISCH, MJ ;

POPLE, JA ;

BINKLEY, JS .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3265-3269

[9] A COMMENT ON THE ROTATIONAL ISOMERIZATION OF ETHYLENE [J].

GIROUX, L ;

BACK, MH ;

BACK, RA .

CHEMICAL PHYSICS LETTERS, 1989, 154 (06) :610-612

[10] ORIGIN OF V]-N TRANSITION OF LIQUID ETHYLENE [J].

MCDIARMID, R .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (09) :4669-+

← 1 2 3 →