نمایش نتایج جستجو برای
کلمات کلیدی: Binding energy
موارد یافت شده: 14
1 - A DFT study on the metal ion selectivity of deferiprone complexes (چکیده)2 - Drug-DNA interaction, A joint DFT-D3/MD study on the Safranal as an anticancer and DNA nanostructure model (چکیده)
3 - Silicon atom and silicon oxide molecule, within the metallic and semiconducting carbon nanotubes as promising centers candidates for hydrogen adsorption: A DFT theoretical study (چکیده)
4 - Computational modeling of the photovoltaic activities in EABX3 (EA=ethylammonium, B=Pb, Sn, Ge, X=Cl, Br, I) perovskite solar cells (چکیده)
5 - Accurate DFT studies on crystalline network formation of a new Co(II) complex bearing 8−aminoquinoline (چکیده)
6 - A theoretical study on the [Al(DFX)2]3-, [Fe(DFX)2]3- and [Ga(DFX)2]3- complexes (چکیده)
7 - Molecular dynamic simulation and DFT study on the Drug-DNA interaction; Crocetin as an anticancer and DNA nanostructure model (چکیده)
8 - Comparison of hydrogen absorption in metallic and semiconductor single-walled Ge- and GeO2- doped carbon nanotubes (چکیده)
9 - A DFT study on the complex formation between desferrithiocin and metal ions (Mg2+, Al3+, Ca2+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+) (چکیده)
10 - The role of the electronic structure and solvent in the dye sensitized solar cells based on Zn-porphyrins; Theoretical study (چکیده)
11 - Solvent and spin state effects on molecular structure, IR spectra, binding energies and quantum chemical reactivity indices of deferiprone-ferric complex: DFT study (چکیده)
12 - The study of the effect of increasing adsorbed hydrog s atomic percentage on electronic properties of boron-nitride nanotube (چکیده)
13 - Comprehensive studies of non-covalent interactions within four new Cu(II) supramolecules (چکیده)
14 - Structural, electronic and magnetic properties of Fen@C60 and Fen@C80 (n=2–7) endohedral metallofullerene nano-cages: First principles study (چکیده)
