GEOMETRIES OF THE GROUND AND 1ST EXCITED TRIPLET-STATES OF THIOFORMALDEHYDE

被引：17

作者：

GODDARD, JD

机构：

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1981年 / 59卷 / 22期

关键词：

D O I：

10.1139/v81-468

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：3200 / 3203

页数：4

共 25 条

[1] AB-INITIO CALCULATIONS FOR GROUND AND LOW-LYING TRIPLET-STATES OF THIOFORMALDEHYDE [J].

BAIRD, NC ;

SWENSON, JR .

JOURNAL OF PHYSICAL CHEMISTRY, 1973, 77 (02) :277-280

[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[3]

BINKLEY JS, QCPE368 INDIANA U DE

[4] NON-EMPIRICAL SCF AND CI STUDY OF GROUND AND EXCITED-STATES OF THIOFORMALDEHYDE [J].

BRUNA, PJ ;

PEYERIMHOFF, SD ;

BUENKER, RJ .

CHEMICAL PHYSICS, 1974, 3 (01) :35-53

[5] SINGLE ROTATIONAL LEVEL RESONANCE FLUORESCENCE OF THIOFORMALDEHYDE [J].

CLOUTHIER, DJ ;

KERR, CML ;

RAMSAY, DA .

CHEMICAL PHYSICS, 1981, 56 (01) :73-80

[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS [J].

COLLINS, JB ;

SCHLEYER, PV ;

BINKLEY, JS ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) :5142-5151

[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[8]

Dunning T. H. J., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1

[9] GEOMETRIES AND ELECTRONIC-STRUCTURES OF SULFINE AND THIOFORMALDEHYDE [J].

FLOOD, E ;

BOGGS, JE .

JOURNAL OF MOLECULAR STRUCTURE, 1976, 34 (01) :147-151

[10]

GORDON MS, J AM CHEM SOC

← 1 2 3 →