Simulation of the molecular and electronic structure of C60 fullerene π-complex with twelve half-sandwich species FeC5H 5

Russian Chemical Bulletin

Volumn 51, Issue 5, 2002, Pages 709-712

  Chistyakov, A L ^a   Stankevich, I V ^a  

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

Author keywords

"coated" fullerenes; C60 fullerene; C60 fullerene complexes; Density functional theory; Fe C60 bond energy; Ferrocene; Nonempirical quantum chemical calculations; PBE approximation

Indexed keywords

FULLERENE DERIVATIVE;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPLEX FORMATION; DATA ANALYSIS; DENSITY; PHYSICAL CHEMISTRY; SIMULATION; STRUCTURE ANALYSIS; SUBSTITUTION REACTION;

EID: 0141721749     PISSN: 10665285     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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