On some complexes of allyl derivatives of C60 fullerene: Simulation of molecular and electron structure by DFT

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 12, Issue 1-2, 2005, Pages 431-435

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

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

Author keywords

Allyl complex; Bond energy; C60 fullerene; Carbon cage; DFT; Exchange correlation potential; Transition metal complexes

Indexed keywords

ATOMS; COBALT COMPOUNDS; COORDINATION REACTIONS; FULLERENES; METAL COMPLEXES; METALS; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

ALLYL COMPLEXES; ALLYL DERIVATIVES; BOND ENERGIES; CARBON CAGES; ELECTRON STRUCTURES; EXCHANGE-CORRELATION POTENTIAL; FIVE-MEMBERED RINGS; TRANSITION METAL ATOMS;

CHLORINE COMPOUNDS;

EID: 21344438712     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1081/FST-120027203     Document Type: Conference Paper

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