Issue 2, 2001

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

Abstract

The interactions of the Ti8C12 metallocarbohedrene with halogen-containing addends are discussed on the basis of ab initio calculations of the Ti8C12(CHCl3) adduct.

Article information

Article type
Paper

Mendeleev Commun., 2001,11, 59-61

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

A. L. Ivanovskii, A. A. Sofronov and Y. N. Makurin, Mendeleev Commun., 2001, 11, 59 DOI: 10.1070/MC2001v011n02ABEH001340

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