MOLECULAR-ORBITAL CALCULATIONS FOR DIALUMINUM AND DISILICON HYDRIDES AND RELATED SYSTEMS

被引:28
作者
BAIRD, NC
机构
来源
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1985年 / 63卷 / 01期
关键词
D O I
10.1139/v85-013
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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收藏
页码:71 / 76
页数:6
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共 17 条
[2]  
Cowley A. R., UNPUB
[3]   MNDO CALCULATIONS FOR COMPOUNDS CONTAINING ALUMINUM AND BORON [J].
DAVIS, LP ;
GUIDRY, RM ;
WILLIAMS, JR ;
DEWAR, MJS ;
RZEPA, HS .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (04) :433-445
[4]   MNDO PARAMETERS FOR 3RD PERIOD ELEMENTS [J].
DEWAR, MJS ;
MCKEE, ML ;
RZEPA, HS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (11) :3607-3607
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[6]   THE X-RAY CRYSTAL-STRUCTURE OF TETRAMESITYLDISILENE [J].
FINK, MJ ;
MICHALCZYK, MJ ;
HALLER, KJ ;
WEST, R ;
MICHL, J .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1983, (18) :1010-1011
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].
FRANCL, MM ;
PIETRO, WJ ;
HEHRE, WJ ;
BINKLEY, JS ;
GORDON, MS ;
DEFREES, DJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665
[8]   ABINITIO AND PSEUDOPOTENTIAL CALCULATIONS ON THE SINGLET AND TRIPLET-STATES OF THE DISILYNE ISOMERS [J].
KALCHER, J ;
SAX, A ;
OLBRICH, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (03) :543-552
[9]  
KOHLER HJ, 1982, J AM CHEM SOC, V104, P5884, DOI 10.1021/ja00386a006
[10]   GEOMETRIES AND RELATIVE ENERGIES OF SINGLET SILYLSILYLENE AND SINGLET DISILENE [J].
KROGHJESPERSEN, K .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (09) :1492-1495