Wetting of paracetamol surfaces studied by DMol3-COSMO calculations

Molecular Simulation

Volumn 34, Issue 10-15, 2008, Pages 1013-1017

  Todorova, T ^a   Delley, B ^a  

^a PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

Density functional theory; DMol3 COSMO calculations; Paracetamol; Wetting

Indexed keywords

ANGLE MEASUREMENT; CONTACT ANGLE; DENSITY FUNCTIONAL THEORY; KETONES; WETTING;

DMOL3-COSMO CALCULATIONS; DRY STATES; PARACETAMOL; POLYMORPHIC FORMS; SCREENING MODELS; UNRELAXED SURFACES; WETTING ENERGIES;

SURFACES;

EID: 56749156394     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802235672     Document Type: Article

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