ABINITIO STUDY OF BECN, MGCN, CACN AND BACN

被引:61
作者
BAUSCHLICHER, CW
LANGHOFF, SR
PARTRIDGE, H
机构
关键词
D O I
10.1016/0009-2614(85)80663-1
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
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页码:124 / 129
页数:6
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共 29 条
[1]  
AHLRICHS R, UNPUB J COMP CHEM
[2]   STRUCTURE, VIBRATIONAL SPECTRA, DIPOLE MOMENT, AND STABILITY OF GASEOUS LICN AND LINC [J].
BAK, B ;
CLEMENTI, E ;
KORTZEBORN, RN .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (02) :764-+
[3]   ON HYBRIDIZATION AND BONDING IN THE ALKALINE-EARTHS - BE, MG, AND CA [J].
BAUSCHLICHER, CW ;
BAGUS, PS ;
COX, BN .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4032-4038
[4]   THE DISSOCIATION-ENERGY OF CAO [J].
BAUSCHLICHER, CW ;
PARTRIDGE, H .
CHEMICAL PHYSICS LETTERS, 1983, 94 (04) :366-368
[5]   THE DISSOCIATION-ENERGY OF MGO [J].
BAUSCHLICHER, CW ;
LENGSFIELD, BH ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4084-4087
[6]   ON THE DISSOCIATION-ENERGY OF CAOH AND LIOH [J].
BAUSCHLICHER, CW ;
PARTRIDGE, H .
CHEMICAL PHYSICS LETTERS, 1984, 106 (1-2) :65-68
[7]  
BAUSCHLICHER CW, UNPUB J PHYS B
[8]   PHOTOIONIZATION OF HCN - ELECTRON AFFINITY AND HEAT OF FORMATION OF CN [J].
BERKOWIT.J ;
CHUPKA, WA ;
WALTER, TA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1497-&
[9]   STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .18. INTERACTION BETWEEN A LITHIUM ATOM AND A CYANO GROUP AS AN EXAMPLE OF A POLYTOPIC BOND [J].
CLEMENTI, E ;
KISTENMACHER, H ;
POPKIE, H .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (06) :2460-2466
[10]  
Dunning T., 1977, METHODS ELECT STRUCT, P1