A DFT study on the physical adsorption of cyclophosphamide derivatives on the surface of fullerene C60 nanocage

Journal of Molecular Graphics and Modelling

Volumn 52, Issue , 2014, Pages 71-81

  Shariatinia, Zahra ^a   Shahidi, Samira ^a  

^a AMIRKABIR UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Anticancer drug; Cyclophosphamide; DFT calculation; Fullerene; Physical adsorption

Indexed keywords

ADSORPTION; BINDING ENERGY; BROMINE; COMPLEXATION; CONTROLLED DRUG DELIVERY; DENSITY FUNCTIONAL THEORY; ENERGY GAP; FULLERENES; TARGETED DRUG DELIVERY;

ANTICANCER DRUG; BIOLOGICAL MEDIA; COVALENT CHARACTER; CYCLOPHOSPHAMIDE; DFT CALCULATION; DISPERSION ENERGIES; ELECTRICAL CONDUCTIVITY; PHYSICAL ADSORPTION;

CHLORINE;

CYCLOPHOSPHAMIDE DERIVATIVE; FULLERENE; NANOCAGE; NANOCARRIER; CYCLOPHOSPHAMIDE; FULLERENE C60; FULLERENE DERIVATIVE;

ARTICLE; COMPLEX FORMATION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL THEORY; DIPOLE; DISPERSION; DRUG ADSORPTION; DRUG ISOLATION; DRUG STRUCTURE; ELECTRIC CONDUCTIVITY; ELECTRON; ENTHALPY; HYDROGEN BOND; IC 50; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOCHEMISTRY; SURFACE PROPERTY; ADSORPTION; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; STATIC ELECTRICITY; THERMODYNAMICS;

ADSORPTION; CYCLOPHOSPHAMIDE; FULLERENES; MODELS, MOLECULAR; QUANTUM THEORY; STATIC ELECTRICITY; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 84903986220     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2014.06.001     Document Type: Article

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