Simulation of the molecular and electronic structure of heterofullerenes C55Y5 (Y=Si, Ge, Sn, B, Al, N, P, SiH, GeH, SnH) and their η5-π-complexes with Li by the MNDO method

Inorganica Chimica Acta

Volumn 280, Issue 1-2, 1998, Pages 219-225

  Chistyakov, Anatolii L ^a   Stankevich, Ivan V ^a  

^a A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

Author keywords

Electronic structures; Fullerenes; Heterofullerenes; MNDO method

Indexed keywords

ALUMINUM COMPOUNDS; ATOMS; ELECTRONIC STRUCTURE; FULLERENES; GERMANIUM COMPOUNDS; LITHIUM COMPOUNDS; PHOSPHORUS COMPOUNDS; SILICON; SILICON COMPOUNDS; TIN COMPOUNDS;

BOND ENERGIES; FULLERENE C60; HETEROFULLERENES; MNDO METHOD; POLYHEDRAL MOLECULES; QUALITATIVE ESTIMATES; RELATIVE STABILITIES; SPIN DENSITIES;

BORON COMPOUNDS;

EID: 0000752264     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0020-1693(98)00210-2     Document Type: Article

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