ELECTRONIC-STRUCTURE OF DICARBONYL - GROUND-STATE OF GLYOXAL

被引:51
作者
DYKSTRA, CE
SCHAEFER, HF
机构
[1] UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
[2] UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
关键词
D O I
10.1021/ja00858a002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:7210 / 7215
页数:6
相关论文
共 47 条
[31]  
NESBET RK, 1965, J CHEM PHYS, V44, P4403
[32]   ONE-ELECTRON PROPERTIES OF NEAR-HARTREE-FOCK WAVEFUNCTIONS .2. HCHO CO [J].
NEUMANN, DB ;
MOSKOWITZ, JW .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (05) :2216-+
[33]   The photochemical decomposition of glyoxal [J].
Norrish, RGW ;
Griffiths, JGA .
JOURNAL OF THE CHEMICAL SOCIETY, 1928, :2829-2840
[34]   VALENCE-EXCITED STATES OF CARBON MONOXIDE [J].
ONEIL, SV ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10) :3994-&
[35]   4 550 A BAND SYSTEM OF GLYOXAL .I. ROTATIONAL ANALYSES OF (0-0) BANDS FOR C2H2O2 C2HDO2 AND C2D2O2 [J].
PALDUS, J ;
RAMSAY, DA .
CANADIAN JOURNAL OF PHYSICS, 1967, 45 (03) :1389-&
[36]  
PARMENTER CS, 1964, J CHEM PHYS, V41, P648
[37]   THEORETICAL STUDY OF ELECTRONIC STRUCTURE AND CONFORMATION OF GLYOXAL [J].
PINCELLI, U ;
CADIOLI, B ;
DAVID, DJ .
JOURNAL OF MOLECULAR STRUCTURE, 1971, 9 (1-2) :173-&
[38]   INTERNAL-ROTATION IN SOME ORGANIC-MOLECULES CONTAINING METHYL, AMINO, HYDROXYL, AND FORMYL GROUPS [J].
RADOM, L ;
HEHRE, WJ ;
LATHAN, WA ;
POPLE, JA .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1972, 25 (08) :1601-&
[39]   ROTATIONAL ANALYSIS OF O-O BAND OF FIRST SINGLET PI-STAR-N SYSTEM OF CIS GLYOXAL-D1 [J].
RAMSAY, DA ;
ZAULI, C .
ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1974, 35 (1-4) :79-83
[40]  
SCHAEFER HF, IN PRESS