نتایج جستجو برای: functional interaction

تعداد نتایج: 1107611  

ژورنال: :international journal of new chemistry 0

using the computational methods, the interaction effect  of glutamine amino acid on graphene was investigated. for this purpose, the density functional theory) dft (in the ground state of 6-31g was used, and the interaction effects of glutamine on graphene was investigated through attachment to two different base positions. different parameters such as energy levels, the amount of chemical shif...

Journal: :پژوهش های علوم و صنایع غذایی ایران 0
m. abdollahi m. rezaei g. a. farzi

a bionanocomposite film was developed by nanoclay incorporation to chitosan films, using a solution casting method and the effects of nanoclay concentration (0.5, 1.0, and 3% w/w) on the physical and mechanical properties of the chitosan films were evaluated. moreover, x-ray diffraction (xrd), scanning electron microscopy, and fourier transform infrared spectra (ftir) were used for studying mic...

Journal: :research in pharmaceutical sciences 0

accurate quantum chemical computations based on density functional theory (dft) were performed on the series of 2-(4-(naphthalen-2-yl)-1,2,3-thiadiazol-5-ylthio)-n-acetamide (tta) derivatives. the local reactivity of the acetamide derivatives as anti-hiv drugs were studied in terms of fukui functions in the framework of dft. the results based on the basis set superposition error (bsse) correcti...

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