نمایش نتایج جستجو برای
کلمات کلیدی: binding energy
موارد یافت شده: 10
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 - Molecular dynamic simulation and DFT study on the Drug-DNA interaction; Crocetin as an anticancer and DNA nanostructure model (چکیده)
7 - Comparison of hydrogen absorption in metallic and semiconductor single-walled Ge- and GeO2- doped carbon nanotubes (چکیده)
8 - A DFT study on the complex formation between desferrithiocin and metal ions (Mg2+, Al3+, Ca2+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+) (چکیده)
9 - The role of the electronic structure and solvent in the dye sensitized solar cells based on Zn-porphyrins; Theoretical study (چکیده)
10 - Comprehensive studies of non-covalent interactions within four new Cu(II) supramolecules (چکیده)
