Global and local reactivity indexes applied to understand the chemistry of graphene oxide and doped graphene

Journal of Molecular Modeling

Volumn 19, Issue 2, 2013, Pages 919-930

  Cortés Arriagada, Diego ^a  

^a UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

Author keywords

Conceptual DFT; Doped graphene; Functionalized graphene; Graphene; Graphene oxide

Indexed keywords

ACTIVATED CARBON; CARBONYL DERIVATIVE; CARBOXYL GROUP; EPOXIDE; FUNCTIONAL GROUP; GRAPHENE; GRAPHENE OXIDE; HYDROXYL GROUP;

ADSORPTION; ARTICLE; ATOM; DENSITY FUNCTIONAL THEORY; ELECTROPHILICITY; HARDNESS; PRIORITY JOURNAL;

EID: 84877113861     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1642-6     Document Type: Article

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