Quantum-chemical simulation of the interaction between the Ti8C12 metallocarbohedrene and the CHCl3 molecule

Authors
Ivanovskii, AL Sofronov, AA Makurin, YN
Citation
Al. Ivanovskii et al., Quantum-chemical simulation of the interaction between the Ti8C12 metallocarbohedrene and the CHCl3 molecule, MENDELEEV C, (2), 2001, pp. 59-61
Citations number
12
Categorie Soggetti
Chemistry
Journal title
MENDELEEV COMMUNICATIONS
ISSN journal
09599436 → ACNP
Issue
2
Year of publication
2001
Pages
59 - 61
Database
ISI
SICI code
0959-9436(200103/04):2<59:QSOTIB>2.0.ZU;2-9
Abstract
The interactions of the Ti8C12 metallocarbohedrene with halogen-containing addends are discussed on the basis of ab initio calculations of the Tl8C12( CHCl3) adduct.