ON THE USE OF KOOPMANS THEOREM TO ESTIMATE NEGATIVE ELECTRON-AFFINITIES

被引:105
作者
HEINRICH, N
KOCH, W
FRENKING, G
机构
关键词
D O I
10.1016/0009-2614(86)85005-9
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
收藏
页码:20 / 25
页数:6
相关论文
共 19 条
[1]  
[Anonymous], 1984, ELECT MOL INTERACTIO
[2]  
BINKLEY JS, GAUSSIAN 82
[3]  
BROGLI F, 1973, ANGEW CHEM, V85, P414
[4]   ELECTRON AFFINITIES OF ETHYLENE AND 1,3-BUTADIENE [J].
BURROW, PD ;
JORDAN, KD .
CHEMICAL PHYSICS LETTERS, 1975, 36 (05) :594-598
[5]   TEMPORARY SIGMA-ANIONS AND PI-ANIONS OF THE CHLOROETHYLENES AND CHLOROFLUOROETHYLENES [J].
BURROW, PD ;
MODELLI, A ;
CHIU, NS ;
JORDAN, KD .
CHEMICAL PHYSICS LETTERS, 1981, 82 (02) :270-276
[6]   TEMPORARY NEGATIVE-IONS IN THE CHLOROMETHANES CHCL2F AND CCL2F2 - CHARACTERIZATION OF THE SIGMA-STAR ORBITALS [J].
BURROW, PD ;
MODELLI, A ;
CHIU, NS ;
JORDAN, KD .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (05) :2699-2701
[7]   ELECTRON TRANSMISSION STUDY OF FORMALDEHYDE ELECTRON-AFFINITY [J].
BURROW, PD ;
MICHEJDA, JA .
CHEMICAL PHYSICS LETTERS, 1976, 42 (02) :223-226
[8]   TEMPORARY ANIONS OF THE FLUOROETHYLENES [J].
CHIU, NS ;
BURROW, PD ;
JORDAN, KD .
CHEMICAL PHYSICS LETTERS, 1979, 68 (01) :121-126
[9]  
Christodoulides A., 1984, ELECT MOL INTERACTIO, V2, P423, DOI [10.1016/B978-0-12-174402-1.50011-1, DOI 10.1016/B978-0-12-174402-1.50011-1]
[10]   THEORETICAL AND EXPERIMENTAL INVESTIGATION OF THE ELECTRON-AFFINITIES OF ALLENE AND PROPYNE [J].
CIOMMER, B ;
NGUYEN, KM ;
SCHWARZ, H ;
FRENKING, G ;
KWIATKOWSKI, G ;
ILLENBERGER, E .
CHEMICAL PHYSICS LETTERS, 1984, 104 (2-3) :216-220