MOLECULAR-ORBITAL STUDY OF ROLE OF BH-5 IN HYDROLYSIS OF BH-4-

被引:48
作者
PEPPERBERG, IM [1 ]
HALGREN, TA [1 ]
LIPSCOMB, WN [1 ]
机构
[1] HARVARD UNIV GIBBS CHEM LAB,CAMBRIDGE,MA 02138
关键词
D O I
10.1021/ja00428a008
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:3442 / 3451
页数:10
相关论文
共 55 条
[1]   INFLUENCE OF ELECTRON CORRELATION ON REACTION ENERGIES - DIMERIZATION ENERGIES OF BH3 AND LIH [J].
AHLRICHS, R .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :59-68
[2]  
BIRGE RR, IN PRESS
[3]  
BIRGE RW, COMMUNICATION
[4]  
BOYS SF, 1966, QUANTUM THEORY ATOMS, P253
[5]  
BOYS SF, 1960, REV MOD PHYS, V32, P306
[6]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF MOLECULES .29. INTERACTION OF H-2 WITH SIMPLE LEWIS-ACIDS [J].
COLLINS, JB ;
SCHLEYER, PV ;
BINKLEY, JS ;
POPLE, JA ;
RADOM, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (12) :3436-3441
[8]  
Davidson E., 1974, WORLD QUANTUM CHEM, P17
[9]   BORON HYDRIDES .3. HYDROLYSIS OF SODIUM BOROHYDRIDE IN AQUEOUS SOLUTION [J].
DAVIS, RE ;
BROMELS, E ;
KIBBY, CL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (06) :885-&
[10]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .24. GEOMETRIES AND ENERGIES OF SMALL BORON-COMPOUNDS COMPARISONS WITH CARBOCATIONS [J].
DILL, JD ;
SCHLEYER, PV ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (12) :3402-3409