Computational studies of catechol and water interactions with titanium oxide nanoparticles

Journal of Physical Chemistry B

Volumn 107, Issue 41, 2003, Pages 11419-11427

  Redfern, P C ^a   Zapol, P ^a   Curtiss, L A ^a   Rajh, T ^a   Thurnauer, M C ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; CHEMICAL BONDS; DISSOCIATION; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NANOSTRUCTURED MATERIALS; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE; WATER;

ANATASE; CATECHOL; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITAL THEORY; TITANIUM OXIDE NANOPARTICLE;

TITANIUM OXIDES;

EID: 0242302394     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0303669     Document Type: Article

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