1,2-DILITHIOETHANE - A MOLECULAR-ORBITAL STUDY

被引:63
作者
KOS, AJ
JEMMIS, ED
SCHLEYER, PV
GLEITER, R
FISCHBACH, U
POPLE, JA
机构
[1] UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
[2] UNIV HEIDELBERG,INST ORGAN CHEM,D-6900 HEIDELBERG 1,FED REP GER
[3] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
关键词
D O I
10.1021/ja00407a003
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4996 / 5002
页数:7
相关论文
共 48 条
[1]  
APELOIG Y, 1976, TETRAHEDRON LETT, P3923
[2]  
APELOIG Y, 1980, ISR J CHEM, V20, P43
[3]  
BALL R, 1977, J AM CHEM SOC, V99, P3872
[4]  
Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[6]   MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].
BINKLEY, JS ;
POPLE, JA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :229-236
[7]  
BINKLEY JS, 1978, QCPE, V11, P368
[8]  
BOYS SF, 1967, QUANTUM THEORY ATOMS, P253
[9]   GEOMETRY OF MOLECULES .2. DIBORANE AND ETHANE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
ALLEN, LC ;
WHITTEN, JL .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) :2835-+
[10]   VARIANCE ALGORITHM FOR MINIMIZATION [J].
DAVIDON, WC .
COMPUTER JOURNAL, 1968, 10 (04) :406-&