نمایش نتایج جستجو برای
نویسنده: ایزدیار
سال انتشار مجله: 2016
موارد یافت شده: 19
1 - Glucose Derivatives Substitution and Cyclic peptide Diameter Effects on the Stability of the Self-Assembled Cyclic Peptide Nanotubes; a Joint QM/MD Study (چکیده)2 - Theoretical investigation of the thermal decomposition of imidazolium ionic liquids with different halides ions (چکیده)
3 - Computational Kinetic Modeling of the Selenol Catalytic Activity as the Glutathione Peroxidase (چکیده)
4 - DFT investigation on the selective complexation of the ionic liquids based on α-amino acid anion and N7,N9-dimethyladeninium cation with CO2 (چکیده)
5 - A Theoretical Study on the Efficiency and Role of Guanidines-based Organic Superbases on Carbon dioxide Utilization in Quinazoline-2,4(1H, 3H)-diones Synthesis (چکیده)
6 - The role of the electronic structure and solvent in the dye sensitized solar cells based on Zn-porphyrins; Theoretical study (چکیده)
7 - Solvent and spin state effects on molecular structure, IR spectra, binding energies and quantum chemical reactivity indices of deferiprone-ferric complex: DFT study (چکیده)
8 - Functionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism (چکیده)
9 - QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β- 6 Cyclodextrin as Oxidase Nanomimic (چکیده)
10 - A theoretical study on the electronic structures and equilibrium constants evaluation of Deferasirox iron complexes (چکیده)
11 - A DFT study of solvent effects on the kinetics and mechanism of the [3,3] hetero-Cope rearrangement of 1-butene thiobenzoate (چکیده)
12 - NCI concept as a powerful tool to investigate the origin of Diels–Alder reaction accelerating inside the self-assembled softball nanoreactor (چکیده)
13 - Borohydride salts as high efficiency reducing reagents for carbon dioxide transformation to methanol: Theoretical approach (چکیده)
14 - The effect of glycosylation on the transferrin structure: A molecular dynamic simulation analysis (چکیده)
15 - Sensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing (چکیده)
16 - Quantum Chemistry Aspects Of The Solvent Effects On The Diels Alder Reaction Of 2,3-Dimethybutadiene And Diethylazodicarboxylate (چکیده)
17 - A DFT Study On The Kinetics And Mechanism Of Cyclo-diglycine Thermal Decomposition Reaction In The Gas Phase (چکیده)
18 - 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)
19 - A Theoretical Study on the Structure–Radical Scavenging Activity of Some Hydroxyphenols (چکیده)
