An SCC-DFTB/MD study of the adsorption of zwitterionic glycine on a geminal hydroxylated silica surface in an explicit water environment

Journal of Physical Chemistry C

Volumn 115, Issue 19, 2011, Pages 9615-9621

  Zhao, Y L ^a,b   Koppen S ^a   Frauenheim, T ^a  

^a UNIVERSITY OF BREMEN   (Germany)

^b OCEAN UNIVERSITY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMICAL MOLECULES; DENSITY FUNCTIONAL TIGHT BINDING METHOD; EXPLICIT WATER; GEMINAL SILANOLS; HYDROXYLATED SILICA; INORGANIC MATERIALS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR LEVELS; QUANTUM LEVELS; SILICA SURFACE; SOLVENT EFFECTS; WATER MOLECULE;

ADSORPTION; AMINO ACIDS; BIOMATERIALS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; MONOMERS; SILICA;

SURFACES;

EID: 79956114412     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp200610p     Document Type: Article

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