THEORETICAL PREDICTION OF ELECTRONIC-SPECTRUM OF THIOACETONE AND COMPARISON WITH RELATED SYSTEMS

被引：23

作者：

BRUNA, PJ

BUENKER, RJ

PEYERIMHOFF, SD

机构：

[1] UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY

[2] UNIV BONN, INST PHYS CHEM, D-5300 BONN 1, GERMANY

来源：

CHEMICAL PHYSICS | 1977年 / 22卷 / 03期

关键词：

D O I：

10.1016/0301-0104(77)89025-3

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：375 / 382

页数：8

共 25 条

[1] VERTICAL ELECTRONIC-SPECTRUM OF CS MOLECULE [J].

BRUNA, PJ ;

KAMMER, WE ;

VASUDEVAN, K .

CHEMICAL PHYSICS, 1975, 9 (1-2) :91-103

[2] 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

[3]

BRUNA PJ, 1977, PROGR THEORETICAL OR, V2

[4] ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228

[5] AB-INITIO CALCULATIONS ON ELECTRONIC-SPECTRUM OF ETHANE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS, 1975, 8 (1-2) :56-67

[6] PHOTOCHEMICAL-SYNTHESIS .62. THIONE PHOTOCHEMISTRY, AND CHEMISTRY OF S2 STATE [J].

DEMAYO, P .

ACCOUNTS OF CHEMICAL RESEARCH, 1976, 9 (02) :52-59

[7] 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-+

[8] ALL-VALENCE-ELECTRON CI CALCULATIONS ON ELECTRONIC-SPECTRUM OF DIBORANE [J].

ELBERT, ST ;

PEYERIMHOFF, SD ;

BUENKER, RJ .

CHEMICAL PHYSICS, 1975, 11 (01) :25-40

[9] SCHWEFEL-HETEROCYCEN UND VORSTUFEN .29. DIE ELEKTRONENABSORPTIONSSPEKTREN GESATTIGTER ALIPHATISCHER THIOKETONE [J].

FABIAN, J ;

MAYER, R .

SPECTROCHIMICA ACTA, 1964, 20 (03) :299-304

[10] QUANTITATIVE BESCHREIBUNG DER UV-S-ABSORPTIONEN EINFACHER THIOCARBONYLVERBINDUNGEN [J].

FABIAN, J ;

VIOLA, H ;

MAYER, R .

TETRAHEDRON, 1967, 23 (11) :4323-&

← 1 2 3 →