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کلمات کلیدی: Reactivity indices
موارد یافت شده: 9
1 - The investigation of the central metal effects on the porphyrin-based DSSCs performance; molecular approach (چکیده)2 - Theoretical evaluation of N-alkylcarbazoles potential in hydrogen release (چکیده)
3 - Improvement in charge transfer dynamic of the porphyrin-based solar cells in water: A theoretical study (چکیده)
4 - SPIN STATE EFFECT ON THE QUANTUM-CHEMICAL REACTIVITY INDICES OF IRON(III)-DEFERIPRONE COMPLEXES (چکیده)
5 - Mechanism of 1,3‑ dipolar cycloaddition reactions of indan‑ 1‑ one enamines with aryl nitrile oxide: a DFT analysis (چکیده)
6 - Solvent and spin state effects on molecular structure, IR spectra, binding energies and quantum chemical reactivity indices of deferiprone-ferric complex: DFT study (چکیده)
7 - Density functional theory study of the regio- and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4- phenyl-1-azetin and some substituted nitrile oxides (چکیده)
8 - Theoretical design of the cyclic lipopeptide nanotube as a molecular channel in the lipid bilayer, molecular dynamics and quantum mechanics approach (چکیده)
9 - 1,3-Dipolar Cycloaddition Reactions between Ethyl Diazoacetate and Substituted Alkynes: A Density Functional Theory Study (چکیده)
