AN ABINITIO STUDY ON (C5H5V)2C8H8

被引:13
作者
LUTHI, HP
BAUSCHLICHER, CW
机构
[1] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
[2] IBM CORP,RES LAB,SAN JOSE,CA 95193
关键词
D O I
10.1021/ja00241a022
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:2046 / 2049
页数:4
相关论文
共 16 条
[1]   PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS [J].
ALMLOF, J ;
FAEGRI, K ;
KORSELL, K .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :385-399
[2]   THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE OF FERROCENE AND FERRICINIUM - APPLICATION TO MOSSBAUER ISOMER-SHIFTS, IONIZATION-POTENTIALS, AND CONFORMATION [J].
BAGUS, PS ;
WALGREN, UI ;
ALMLOF, J .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2324-2334
[3]   THE METAL-CARBONYL BOND IN NI(CO)4 AND FE(CO)5 - A CLEAR-CUT ANALYSIS [J].
BAUSCHLICHER, CW ;
BAGUS, PS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (12) :5889-5898
[4]   A COMPARISON OF THE BONDING IN CR(NO)4 AND NI(CO)4 [J].
BAUSCHLICHER, CW ;
SIEGBAHN, PEM .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) :2802-2807
[5]   ON THE BONDING IN FE2(CO)9 [J].
BAUSCHLICHER, CW .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (02) :872-875
[6]  
Cotton F. A., 1998, ADV INORG CHEM, V6
[7]   MU-(ETA-5-ETA-5-CYCLOOCTATETRAENE)BIS[ETA-5-CYCLOPENTADIENYL)-VANADIUM] - PREPARATION, STRUCTURE, AND ELECTRON-SPIN-RESONANCE CHARACTERIZATION OF ITS RADICAL-ANION [J].
ELSCHENBROICH, C ;
HECK, J ;
MASSA, W ;
NUN, E ;
SCHMIDT, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (09) :2905-2907
[8]   GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS [J].
HAY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) :4377-4384
[9]  
HECK J, COMMUNICATION
[10]   TRIPLE-DECKER SANDWICHES [J].
LAUHER, JW ;
ELIAN, M ;
SUMMERVILLE, RH ;
HOFFMANN, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (11) :3219-3224