Modeling the physisorption of bisphenol A on graphene and graphene oxide

Journal of Molecular Modeling

Volumn 19, Issue 9, 2013, Pages 3569-3580

  Cortés Arriagada, Diego ^a   Sanhueza, Luis ^b   Santander Nelli, Mireya ^a  

^a UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

^b PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

Author keywords

Bisphenol A; DFT D3; Graphene; Graphene oxide

Indexed keywords

4,4' ISOPROPYLIDENEDIPHENOL; GRAPHENE; GRAPHENE OXIDE;

ADSORPTION; ARTICLE; DISPERSION; ELECTROPHILICITY; HYDROGEN BOND; MOLECULAR DYNAMICS; PHYSISORPTION; PRIORITY JOURNAL; SURFACE PROPERTY;

ADSORPTION; BENZHYDRYL COMPOUNDS; GRAPHITE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXIDES; PHENOLS;

EID: 84883010344     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1872-2     Document Type: Article

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