JAHN-TELLER DISTORTION PREDICTED FOR METALLOCARBOHEDRENES - AN ABINITIO SCF GEOMETRY OPTIMIZATION OF THE LOWEST SINGLET AND TRIPLET-STATES OF TI8C12 IN THE T(H) AND D(2H) POINT GROUPS

被引:63
作者
ROHMER, MM [1 ]
DEVAAL, P [1 ]
BENARD, M [1 ]
机构
[1] INST LE BEL,CHIM QUANT LAB,CNRS,UPR 139,F-67000 STRASBOURG,FRANCE
关键词
D O I
10.1021/ja00050a080
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:9696 / 9697
页数:2
相关论文
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