Two-level adsorption of ibuprofen on C 60 fullerene for transdermal delivery: Classical molecular dynamics and density functional theory computations

Journal of Physical Chemistry C

Volumn 115, Issue 50, 2011, Pages 24501-24511

  Hadad, André ^a   Azevedo, David L ^a   Caetano, Ewerton W S ^b   Freire, Valder N ^c   Mendonça, Glaydson L F ^c   Neto, Pedro L ^c   Albuquerque, Eudenilson L ^d   Margis, Rogerio ^e   Gottfried, Carmem ^e  

^a FEDERAL UNIVERSITY OF MARANHÃO   (Brazil)

^b INSTITUTO FEDERAL DE EDUCAÇÃO   (Brazil)

^c FEDERAL UNIVERSITY OF CEARÁ   (Brazil)

^d FEDERAL UNIVERSITY OF RIO GRANDE DO NORTE   (Brazil)

^e FEDERAL UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION GEOMETRIES; ANTI-INFLAMMATORIES; BUCKMINSTERFULLERENES; BUCKYBALL; CLASSICAL MOLECULAR DYNAMICS; COMPUTATIONAL SIMULATION; DELIVERY TIME; DENSITY FUNCTIONALS; ELECTRON TRANSFER; EXTERNAL LAYERS; FREQUENCY MISMATCH; GEOMETRY OPTIMIZATION; HOMO-LUMO ENERGY GAP; INTERNAL LAYERS; IR ABSORPTION SPECTRA; ISOBUTYL GROUPS; LUMINESCENCE MEASUREMENTS; NEGATIVE CHARGE; NON-STEROIDAL ANTI-INFLAMMATORY DRUGS; NORMAL MODES; ROOM TEMPERATURE; SOLVATION LAYERS; TRANSDERMAL DELIVERY; VIBRATIONAL ANALYSIS;

BINDING ENERGY; DRUG PRODUCTS; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONIC STRUCTURE; GEOMETRY; MOLECULAR DYNAMICS;

ADSORPTION;

EID: 84857303067     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2066277     Document Type: Article

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