THEORETICAL EVIDENCE FOR MULTIPLE ONE-ELECTRON 3D BONDING IN A 1ST ROW TRANSITION-METAL DIMER - THE 5-SIGMA-U- STATE OF SC2

被引:55
作者
WALCH, SP [1 ]
BAUSCHLICHER, CW [1 ]
机构
[1] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
关键词
D O I
10.1063/1.446214
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
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页码:3590 / 3591
页数:2
相关论文
共 7 条
[1]   BONDING IN DISCANDIUM [J].
DAS, G .
CHEMICAL PHYSICS LETTERS, 1982, 86 (5-6) :482-486
[2]   DICHROMIUM AND TRICHROMIUM [J].
DILELLA, DP ;
LIMM, W ;
LIPSON, RH ;
MOSKOVITS, M ;
TAYLOR, KV .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (11) :5263-5266
[3]   THE GROUND-STATE OF THE SC-2 MOLECULE [J].
KNIGHT, LB ;
VANZEE, RJ ;
WELTNER, W .
CHEMICAL PHYSICS LETTERS, 1983, 94 (03) :296-299
[4]   SMALL GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS [J].
STEWART, RF .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (01) :431-&
[5]   MASS-SPECTROMETRIC DETERMINATION OF DISSOCIATION ENERGY OF MOLECULES SC2 Y2 LA2 + YLA [J].
VERHAEGEN, G ;
SMOES, S ;
DROWART, J .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (01) :239-&
[6]   CAS SCF CI CALCULATIONS FOR THE 3-SIGMA-G-, 1-SIGMA-G+,AND 5-DELTA-U STATES OF SC-2 [J].
WALCH, SP ;
BAUSCHLICHER, CW .
CHEMICAL PHYSICS LETTERS, 1983, 94 (03) :290-295
[7]  
WOOD G, 1980, FARADAY S, V14, P159