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کلمات کلیدی: Reactivity


موارد یافت شده: 16

1 - Photochemical and electrochemical hydrogen evolution reactivity of lanthanide-functionalized polyoxotungstates (چکیده)
2 - Carbon Dioxide Absorption by the Imidazolium−Amino Acid Ionic 2 Liquids, Kinetics, and Mechanism Approach (چکیده)
3 - The investigation of the central metal effects on the porphyrin-based DSSCs performance; molecular approach (چکیده)
4 - Theoretical evaluation of N-alkylcarbazoles potential in hydrogen release (چکیده)
5 - Improvement in charge transfer dynamic of the porphyrin-based solar cells in water: A theoretical study (چکیده)
6 - SPIN STATE EFFECT ON THE QUANTUM-CHEMICAL REACTIVITY INDICES OF IRON(III)-DEFERIPRONE COMPLEXES (چکیده)
7 - Mechanism of 1,3‑ dipolar cycloaddition reactions of indan‑ 1‑ one enamines with aryl nitrile oxide: a DFT analysis (چکیده)
8 - Solvent and spin state effects on molecular structure, IR spectra, binding energies and quantum chemical reactivity indices of deferiprone-ferric complex: DFT study (چکیده)
9 - 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)
10 - Theoretical design of the cyclic lipopeptide nanotube as a molecular channel in the lipid bilayer, molecular dynamics and quantum mechanics approach (چکیده)
11 - A comprehensive study of the solvent effects on the cycloaddition reaction of diethyl azodicarboxylate and ethyl vinyl ether: Efficient implementation of QM and TD-DFT study (چکیده)
12 - Quantum Chemistry Description of Some Ionic Liquids: Theoretical Approach (چکیده)
13 - 1,3-Dipolar Cycloaddition Reactions between Ethyl Diazoacetate and Substituted Alkynes: A Density Functional Theory Study (چکیده)
14 - HOMO-LUMO Energy and NBO Analysis on Chemical Reactivity Description of Some Derivatives of 1-Pyrazolines (چکیده)
15 - Active C-H bond and rational of the anion-cation structural pattern in the ionic liquids 1-alkyl-3-methylimidazolium Chloride (چکیده)
16 - HEXAMETHYLDISILAZANE IN THE PRESENCE OF N,N ,N ,N-TETRAMETHYLTETRA-2,3-PYRIDINOPORPHYRAZINATO COPPER (II) IS ANEW, MILD AND HIGHLY EFFICIENT REAGENT FOR SILYLATION OF ALCOHOLS AND PHENOLS (چکیده)