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Density Functional Theory DFT

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مقالات حوزه Density Functional Theory DFT

مقاله کنفرانسی سال ۱۳۹۵ ۷۳۰ مشاهده

Wastewater Purification Involved Nickel Ions by GO (Graphene Oxide) and GO-Glycine Nanocomposite as Adsorbents: A DFT Study

The interaction of nickel ions adsorbed on 5,0 zigzag graphene functionalized by hydroxyl GO and also functionalized by glycine amino acid GO G was s…

Nickle IonGraphene OxideNanocomposite

مقاله کنفرانسی سال ۱۳۹۵ ۶۳۲ مشاهده

DensityFunctional Theory of Interaction ethylene Chloride (DCM) on Graphene Armchair Structural activated by Hydroxyl,Carboxyl and Amide

The interaction of CH2Cl2 molecule DCM adsorbed on 4,4 armchair functionalized graphene was studied by using density functional DFT calculations Geom…

Methylene Chloride (DCM)GrapheneAdsorption