Simulation of the interface between titanium oxide and amino acids in solution by first principles MD

Surface Science

Volumn 538, Issue 1-2, 2003, Pages 1-9

  Langel, Walter ^a   Menken, Lars ^a,b  

^a UNIVERSITY OF GREIFSWALD   (Germany)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Ab initio quantum chemical methods and calculations; Biological molecules proteins; Models of surface chemical reactions; Molecular dynamics; Titanium oxide

Indexed keywords

AMINO ACIDS; COMPUTER SIMULATION; HYDROGEN BONDS; INTERFACES (MATERIALS); TITANIUM OXIDES;

WEAK INTERACTIONS;

MOLECULAR DYNAMICS;

EID: 0038411189     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(03)00723-4     Document Type: Article

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