Simulation of the electronic structure of the homologues of titanocarbohedrene Ti8C12

Russian Journal of Inorganic Chemistry

Volumn 50, Issue 5, 2005, Pages 743-746

  Enyashin, A N ^a   Ivanovskii, A L ^a  

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; DIMERS; FULLERENES; ISOMERS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; REDOX REACTIONS; TITANIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY; INTERATOMIC DISTANCES; STRUCTURE MODELS; TITANOCARBOHEDRENE;

ELECTRONIC STRUCTURE;

EID: 20444414900     PISSN: 00360236     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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