UNRESTRICTED HARTREE-FOCK STUDY OF LOWEST TRIPLET-STATE OF METHYLGLYOXAL AND OTHER CARBONYLS

被引：6

作者：

ABDULNUR, SF ^{[1
]}

机构：

[1] FRIEDRICH ALEXANDER UNIV,LEHRSTUHL THEORET CHEM,D-8520 ERLANGEN,FED REP GER

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 20期

关键词：

D O I：

10.1021/ja00488a009

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：6341 / 6343

页数：3

共 17 条

[1]

ABDULNUR SF, 1977, INT J QUANTUM CHEM Q, V4, P217

[2] LUMINESCENCE AND SIMPLIFIED PHOTOPHYSICS OF METHYLGLYOXAL [J].

COVELESKIE, RA ;

YARDLEY, JT .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (07) :1667-1672

[3]

DELBENE JE, 1975, THEOR CHIM ACTA, V36, P195, DOI 10.1007/BF00572559

[4] 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-+

[5] ELECTRONIC-STRUCTURE OF DICARBONYLS - GLYOXAL EXCITED-STATES [J].

DYKSTRA, CE ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (02) :401-406

[6] ELECTRONIC-STRUCTURE OF DICARBONYL - GROUND-STATE OF GLYOXAL [J].

DYKSTRA, CE ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (25) :7210-7215

[7] MOLECULAR-PROPERTIES OF EXCITED ELECTRONIC STATES - A A-3'' AND A A-1'' STATES OF FORMALDEHYDE [J].

GARRISON, BJ ;

SCHAEFER, HF ;

LESTER, WA .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) :3039-3042

[8]

HEHRE WJ, QCPE236

[9]

HERZBERG G, 1966, ELECTRONIC SPECTRA P

[10]

MCGLYNN SP, 1969, MOL SPECTROSCOPY TRI, P84

← 1 2 →