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机译:Molecular DFT Investigation on the Inclusion Complexation of Benzoapyrene with gamma-Cyclodextrin
Univ Djillali Liabes Sidi Bel Abbes;
Univ Mustapha Stambouli;
20 August 1955 Univ SkikdaUnite Catalyse & Chim Solide UCCS;
gamma-Cyclodextrin; benzoapyrene; inclusion complex; DFT calculations; Van der Waals interactions; POLYCYCLIC AROMATIC-HYDROCARBONS; TOXIC EQUIVALENCY FACTORS; REDUCED DENSITY GRADIENT; BETA-CYCLODEXTRIN; BASIS-SETS; MODEL; GUEST; BIOAVAILABILITY; BENZO(A)PYRENE; ADSORPTION;