Arginine interactions with anatase TiO2 (100) surface and the perturbation of 49Ti NMR chemical shifts - A DFT investigation: Relevance to Renu-Seeram bio solar cell

Journal of Molecular Modeling

Volumn 17, Issue 6, 2011, Pages 1467-1472

  Koch, Rainer ^a   Lipton, Andrew S ^b   Filipek, Slawomir ^c   Renugopalakrishnan, Venkatesan ^d,e  

^a UNIVERSITY OF OLDENBURG   (Germany)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF WARSAW   (Poland)

^d BOSTON CHILDREN S HOSPITAL   (United States)

^e NORTHEASTERN UNIVERSITY   (United States)

Author keywords

Amino acid binding; DFT; NMR simulation; TiO2

Indexed keywords

ARGININE; OXYGEN; TITANIUM DIOXIDE;

ARTICLE; BINDING AFFINITY; CALCULATION; CHEMICAL INTERACTION; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; STATIC ELECTRICITY;

ARGININE; BACTERIORHODOPSINS; BIOELECTRIC ENERGY SOURCES; COMPUTER SIMULATION; ELECTROCHEMISTRY; HYDROGEN BONDING; ISOTOPES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOLAR ENERGY; TITANIUM;

EID: 79958164322     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0853-y     Document Type: Article

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