Computational methods to predict the reactivity of nanoparticles through structure-property relationships

Expert Opinion on Drug Delivery

Volumn 7, Issue 3, 2010, Pages 295-305

  Poater, Albert ^a,b   Saliner, Ana Gallegos ^c,d   Solà, Miquel ^d   Cavallo, Luigi ^b   Worth, Andrew P ^e  

^a UNIVERSITY OF GIRONA   (Spain)

^b UNIVERSITY OF SALERNO   (Italy)

^c EUROPEAN MONITORING CENTRE FOR DRUGS AND DRUG ADDICTION   (Portugal)

^d Campus de Montilivi   (Spain)

^e JOINT RESEARCH CENTRE   (Italy)

Author keywords

Carbon nanoneedle; Chemical hardness; Computational modelling; Conceptual density functional theory; Electrophilicity; Energy decomposition analysis; Fukui function; Nanomedicine; Structureproperty relationship

Indexed keywords

CARBON NANONEEDLE; NANOPARTICLE; UNCLASSIFIED DRUG;

CALCULATION; COMPUTER ANALYSIS; COMPUTER MODEL; DENSITY FUNCTIONAL THEORY; DRUG ACTIVITY; DRUG DELIVERY SYSTEM; DRUG TARGETING; HARDNESS; NANOMEDICINE; PREDICTION; QUANTUM MECHANICS; REVIEW; STRUCTURE ACTIVITY RELATION;

EID: 77749283358     PISSN: 17425247     EISSN: None     Source Type: Journal    
DOI: 10.1517/17425240903508756     Document Type: Review

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