Theoretical study on the sequential hydroxylation of C82 fullerene based on Fukui function

Molecular Physics

Volumn 109, Issue 14, 2011, Pages 1771-1783

  Rodriguez Zavala J G ^a   Tenorio, F J ^a   Samaniego, Cuauhtemoc ^a   Mendez Barrientos C I ^a   Pena Lecona F G ^a   Munoz Maciel J ^a   Flores Moreno, R ^a  

^a UNIVERSITY OF GUADALAJARA   (Mexico)

Author keywords

carbon system; fullerene; hydroxylation

Indexed keywords

AB INITIO; AMPHIPHILIC MOLECULES; CARBON SYSTEMS; CONDENSED FUKUI FUNCTIONS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC ENERGY LEVELS; ENHANCED REACTIVITY; FUKUI FUNCTIONS; FULLERENE SURFACES; FULLERENOLS; HOMO-LUMO GAPS; HYDROPHOBIC CHARACTER; HYDROXYL GROUPS; LANGMUIR MONOLAYERS; OH GROUP; PM3 METHOD; SEMI-EMPIRICAL; THEORETICAL STUDY;

ADSORPTION; CALCULATIONS; DANGLING BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HYDROXYLATION; ISOMERS; MONOLAYERS;

FULLERENES;

EID: 79960990960     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.591743     Document Type: Article

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