Quantum chemical modeling study of adsorption of benzoic acid on anatase TiO2 nanoparticles

Journal of Molecular Modeling

Volumn 18, Issue 6, 2012, Pages 2709-2716

  Wahab, Hilal S ^a  

^a AL NAHRAIN UNIVERSITY   (Iraq)

Author keywords

Adsorption; Benzoic acid; Model calculations; Molecular dynamics; Titanium oxide

Indexed keywords

BENZOIC ACID; CARBOXYLIC ACID; NANOPARTICLE; OXYGEN; TITANIUM DIOXIDE;

ADSORPTION; ARTICLE; CHEMICAL INTERACTION; CHEMICAL MODEL; HYDROGEN BOND; MOLECULAR DYNAMICS; PRIORITY JOURNAL; QUANTUM CHEMISTRY; SIMULATION; SURFACE PROPERTY;

ADSORPTION; BENZOIC ACID; HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; NANOPARTICLES; QUANTUM THEORY; SURFACE PROPERTIES; TITANIUM;

EID: 84864648502     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1294-y     Document Type: Article

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