QUANTUM CHEMICAL STUDIES OF CO, CS AND RELATED DOUBLE-BONDS

被引:39
作者
KUTZELNIGG, W [1 ]
机构
[1] RUHR UNIV BOCHUM, LEHRSTUHL THEORET CHEM, D-4630 BOCHUM, GERMANY
关键词
D O I
10.1351/pac197749070981
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:981 / 1000
页数:20
相关论文
共 123 条
[61]   PHOTODISSOCIATION OF FORMALDEHYDE - POTENTIAL-ENERGY SURFACES FOR H2CO] -] + CO [J].
JAFFE, RL ;
HAYES, DM ;
MOROKUMA, K .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (12) :5108-5109
[62]   MCSCF POTENTIAL-ENERGY SURFACE FOR PHOTODISSOCIATION OF FORMALDEHYDE [J].
JAFFE, RL ;
MOROKUMA, K .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) :4881-4886
[63]  
JAQUET R, 1976, THESIS RUHR U BOCHUM
[64]   3500-A1A2 - X-1A1 TRANSITION OF FORMALDEHYDE-H2 D2 AND HD1 VIBRATIONAL AND ROTATIONAL ANALYSES [J].
JOB, VA ;
SETHURAMAN, V ;
INNES, KK .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1969, 30 (03) :365-+
[65]   INFRARED SPECTRUM OF THIOFORMALDEHYDE [J].
JOHNS, JWC ;
OLSON, WB .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 39 (03) :479-&
[66]   MICROWAVE SPECTRUM, GROUND STATE STRUCTURE, AND DIPOLE MOMENT OF THIOFORMALDEHYDE [J].
JOHNSON, DR ;
POWELL, FX ;
KIRCHHOFF, WH .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 39 (01) :136-+
[67]   ROTATIONAL CONSTANTS AND GEOMETRICAL STRUCTURE OF 1A2 AND 3A2 STATES OF H2CO AND D2CO [J].
JONES, VT ;
COON, JB .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1969, 31 (01) :137-&
[68]  
JONGES A, 1967, J PHYS CHEM, V71, P4111
[69]   ELECTRONIC ABSORPTION-SPECTRUM OF THIOFORMALDEHYDE [J].
JUDGE, RH ;
KING, GW .
CANADIAN JOURNAL OF PHYSICS, 1975, 53 (19) :1927-1928
[70]   INTRAMOLECULAR HYDROGEN-BOND - AB-INITIO MO CALCULATIONS ON ENOL TAUTOMER OF MALONDIALDEHYDE [J].
KARLSTROM, G ;
WENNERSTROM, H ;
JONSSON, B ;
FORSEN, S ;
ALMLOF, J ;
ROOS, B .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (15) :4188-4192