Jahn-Teller distortion predicted for metallocarbohedrenes: an ab initio SCF geometry optimization of the lowest singlet and triplet states of titanium carbide (Ti8C12) in the Th and D2h point groups
- 1 November 1992
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 114 (24) , 9696-9697
- https://doi.org/10.1021/ja00050a080
Abstract
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