Density functional study of the adsorption of aspirin on the hydroxylated (0 0 1) α-quartz surface

Surface Science

Volumn 603, Issue 16, 2009, Pages 2502-2506

  Abbasi, A ^a   Nadimi, E ^a   Planitz P ^b   Radehaus, C ^a,b  

^a CHEMNITZ UNIVERSITY OF TECHNOLOGY   (Germany)

^b GWT TUD GmbH   (Germany)

Author keywords

(0 0 1) quartz surface; Aspirin; Chemisorption; Density functional calculations; Drug stability

Indexed keywords

ADSORBED MOLECULES; ADSORPTION ENERGIES; ADSORPTION GEOMETRIES; ASPIRIN; CHEMICAL INTERACTIONS; CLEAN SURFACES; DENSITY FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL STUDY; DFT CALCULATION; DRUG STABILITY; HYDROGEN BONDINGS; QUARTZ SURFACES; SURFACE HYDROXYL;

ADSORPTION; BINDING SITES; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROXYLATION; OXIDE MINERALS; QUARTZ; SULFUR COMPOUNDS;

HYDROGEN BONDS;

EID: 68149139626     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.06.004     Document Type: Article

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