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کلمات کلیدی: Force field
موارد یافت شده: 6
1 - Impact of Different Groups on Properties of All Members of the Series of 1-X-Benzotriazole Derivatives (X= H, OH, NH2, Cl and CH3) (چکیده)2 - Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations (چکیده)
3 - Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA (چکیده)
4 - The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids (چکیده)
5 - Evaluation of DNA- targeted Anticancer Interaction by Molecular Dynamic Simulation; Ethyl Butyryl Triphenyl Phosphonium Chloride (چکیده)
6 - Hydrogen bonding investigation in 1-ethyl-3-methylimidazolium based ionic liquids from density functional theory and atoms-in-molecules methods (چکیده)
