نمایش نتایج جستجو برای
نویسنده: ایزدیار
موضوع : شیمى
اعتبار علمی: ISI
زبان مقاله: انگلیسی
موارد یافت شده: 46
1 - Stereoelectronic effects: a powerful concept in explaning kinetic and thermodynamic aspects of retro cheletropic reactions (چکیده)2 - Theoretical Design of the Cyclic Lipopeptide Nanotube as a Molecular Channel in the Lipid Bilayer, Molecular Dynamics and Quantum Mechanics Approach (چکیده)
3 - DFT investigation and molecular dynamic simulation on the selectivecomplexation of cis-cyclic nanopeptides with alkaline earth metalions (چکیده)
4 - A quantum chemistry study on the performance of porphyrin-based solar cell sensitisers; Zinc and anchor group position effects (چکیده)
5 - Thermal Decomposition Mechanisms of the Ionic Liquids Based on a-Amino Acid Anion and N7,N9- Dimethyladeninium Cation; Quantum Chemistry Approach (چکیده)
6 - N–ethylcarbazole-Doped Fullerene as a Potential Candidate for Hydrogen Storage, Kinetics Approach (چکیده)
7 - Implicit and explicit solvent effects on the selectivity of cycloaddition reaction of cyclopentadiene and methyl acrylate; a theoretical study (چکیده)
8 - The origin of regio- and stereoselectivity in 1,3-dipolar cycloaddition of nitrile oxides with C1-substituted 7- oxabenzonorbornadienes, A DFT study (چکیده)
9 - Dissociative hydrogen adsorption on the cubic cobalt surfaces: A DFT study (چکیده)
10 - Hydrogen Storage by N-ethylcarbazol as a New Liquid Organic Hydrogen Carrier: A DFT Study on the Mechanism (چکیده)
11 - Quantum Chemistry Study on the Mechanism of Oxidation of Cysteine to Cystine Using Hydrogen Peroxide (چکیده)
12 - A Combined Molecular Dynamic and Quantum Mechanic Study of the Solvent and Guest Molecule Effect on the Stability and Length of Heterocyclic Peptide Nanotube (چکیده)
13 - Particle size effects in Fischer–Tropsch synthesis by cobalt catalyst supported on carbon nanotubes (چکیده)
14 - A combined quantum mechanics and molecular mechanics study on nitrogen oxide adsorption/ dissociation on a tungsten oxide surface (چکیده)
15 - Efficient synthesis of novel spiro[indole-3,6'- pyrano[2,3-d][1,3]thiazolo[3,2-a]pyrimidine derivatives through an organobase-catalyzed, three- component reaction (چکیده)
16 - A QM/MM study of NO oxidation on the nanocrystalline surface of tungsten oxide (چکیده)
17 - 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)
18 - Kinetics and Mechanism of Diallyl Sulfoxide Pyrolysis; A Combined Theoretical and Experimental Study in Gas Phase (چکیده)
19 - Ionic liquids based on α-amino acids; a structural insights into [dMA] 2 [AA] and computational evaluation of the hydrogen bonds (چکیده)
20 - Theoretical investigation of the chemoselectivity and synchronously pyrazole ring formation mechanism from ethoxymethylenemalononitrile and hydrazine hydrate in the gas and solvent phases: DFT, meta-GGA studies and NBO analysis (چکیده)
21 - A facile access to highly functionalized triphenylphosphoranylidene succinimides through a three-component reaction and DFT investigation on the reaction mechanism (چکیده)
22 - QTAIM and NBO Analysis of a New Oxidative Salt of 1,1/-(Ethane-1, 2-diyl) Dipyridinium bisiodate (چکیده)
23 - Size-controlled synthesis of SnO2 nanoparticles using reverse microemulsion method (چکیده)
24 - Quantum Chemistry Aspects of the Solvent Effects on the Ene Reaction of 1-Phenyl-1,3,4-triazolin-2,5-dione and 2-Methyl-2-butene (چکیده)
25 - Complexation of Cd2+, Ni2+, and Ag+ Metal Ions with 4,13Didecyll,7,10,16tetraoxa4,13diazacyclooctadecane in Acetonitrile–Ethylacetate Binary Mixtures1 (چکیده)
26 - Diastereoselective synthesis of highly functionalized quinolizines via a pyridine-based three-component reaction and a DFT investigation on the reaction mechanism (چکیده)
27 - N-Phenyl-1-methyl-6-methylenecyclohexa-2,4- dienylmethanimine retro cheletropic-ene reaction, a theoretical kinetic study (چکیده)
28 - Mechanistic double ASF product distribution study of Fischer-Tropsch Synthesis on precipitated iron catalyst (چکیده)
29 - Detailed kinetics of Fischer-Tropsch Synthesis on a precipitated iron catalyst (چکیده)
30 - A theoretical study of the mechanism and kinetics of the thermal decomposition of carbamoyl azide (چکیده)
31 - Computational study on the mechanism of N-phenylimine derivatives’ pyrolysis reaction in the gas phase (چکیده)
32 - Quantum Chemistry Aspects of the Solvent Effects on 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide Pyrolysis Reaction (چکیده)
33 - Combination of X-ray crystallography and theoretical study to evaluate the effect of N-H...O=P versus N-H...O=C hydrogen bonds on the N-H stretching frequencies (چکیده)
34 - Gas phase pyrolysis reaction of 1-Pyrazoline: a theoretical kinetic study (چکیده)
35 - First-principles calculations on the kinetics and mechanism of the retro-ene reaction of diallyl amine in the gas phase (چکیده)
36 - The Influence of Hydrophobic Amino Acid Side Groups on the Acidity of the Aromatic Imidazole Ring of Histidine: A Theoretical Study (چکیده)
37 - A computational study of the kinetics and mechanism of the gas phase pyrolysis of allyl methyl amine (چکیده)
38 - Chemical Wave Studies in the Bromate–Pyrocatechol Beads System (چکیده)
39 - DFT Calculations on theRetro-ene Reactions, Part III: Allyl Benzyl Sulfide Pyrolysis in the Gas Phase (چکیده)
40 - Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study (چکیده)
41 - DFT Calculations on retro-ene reactions Part I: allyl n-butyl sulfide pyrolysis in the gas phase (چکیده)
42 - Gas phase kinetics and mechanism of 2,2-dimethyl but-3-enal and 1-methyl-6-methylenecyclohexa-2,4-diene-1-carbaldehyde retro-cheletropic ene reaction (چکیده)
43 - DFT calculations on the retro-ene reactions, part II: allyl n-propyl sulfide pyrolysis in the gas phase (چکیده)
44 - Substituent effects on the gas phase reactivity of alkyl allyl sulfides, a theoretical study (چکیده)
45 - A joint experimental and computational study on the kinetic and mechanism of diallyl disulfide pyrolysis in the gas phase (چکیده)
46 - Gas phase kinects and mechanism of diallyl sulfide thermal decomposition (چکیده)
