An ab initio study of adsorption of alanine on the chiral calcite[image omitted] surface

Molecular Simulation

Volumn 33, Issue 4-5, 2007, Pages 343-351

  Asthagiri, A ^a,b   Hazen, R M ^a  

^a GEOPHYSICAL LABORATORY   (United States)

^b University of Florida   (United States)

Author keywords

Amino acid; Calcite; Chirality; Density functional theory; Mineral surfaces

Indexed keywords

ADSORPTION; CALCITE; CHIRALITY; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS;

ALA MOLECULE; CARBOXYL GROUPS; MINERAL SURFACES;

AMINO ACIDS;

EID: 34248581310     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601155485     Document Type: Conference Paper

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