Cyclic voltammetry modeling, geometries, and electronic properties for metallofullerene complexes with μ3-η2: η2:η2-C60 bonding mode

Journal of Computational Chemistry

Volumn 28, Issue 6, 2007, Pages 1100-1106

  Kim, Kyoung Hoon ^a   Jung, Jaehoon ^a   Park, Bo Keun ^b   Han, Young Kyu ^a   Park, Joon T ^b  

^a LG Chemical Ltd   (South Korea)

^b Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

Cyclic voltammetry; Density functional theory; Electron delocalization; Metallofullerene; Reduction potential

Indexed keywords

CYCLIC VOLTAMMOGRAMS; ELECTRON DELOCALIZATION; METALLOFULLERENES; REDUCTION POTENTIAL;

COMPLEXATION; COMPUTATIONAL GEOMETRY; CYCLIC VOLTAMMETRY; ELECTRON EMISSION; ELECTRONIC PROPERTIES; ELECTROSTATICS;

FULLERENES;

FULLERENE C60; FULLERENE DERIVATIVE; HEAVY METAL; IRIDIUM; OSMIUM; RHENIUM; RHODIUM; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRICITY; ELECTROCHEMISTRY; OXIDATION REDUCTION REACTION; SOLUBILITY;

ELECTROCHEMISTRY; ELECTROSTATICS; FULLERENES; IRIDIUM; METALS, HEAVY; MODELS, CHEMICAL; MOLECULAR CONFORMATION; OSMIUM; OXIDATION-REDUCTION; RHENIUM; RHODIUM; SOLUBILITY;

EID: 33947723921     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20639     Document Type: Article

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