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نویسنده: Fatemeh Moosavi


موارد یافت شده: 96

1 - Catalyst-free green synthesis of tetrahydro-benzo[b]pyrans in magnetized water: experimental aspects and molecular dynamics simulation (چکیده)
2 - Effect of low dose gamma ray on the plasmonic behavior of gold nanoparticle (چکیده)
3 - Atomistic simulation of proton transfer ability of Isopoly acid (IPA)/Heteropoly acid (HPA) doped Nafion® 117 for high-temperature fuel cell applications (چکیده)
4 - Comparison of SO2 and CO2 absorption by diamines (چکیده)
5 - Comparing the reactivity of SO2-amine and CO2-amine compounds (چکیده)
6 - Elucidating the morphological aspects and proton dynamics in a hybrid perfluorosulfonic acid membrane for medium-temperature fuel cell applications (چکیده)
7 - Aptamers Can Monitor Ionization Radiation (چکیده)
8 - What is the effect of polar and nonpolar side chain group on bulk and electrical double layer properties of amino acid ionic liquids? (چکیده)
9 - Interaction of longitudinal phonons with discrete breather in strained graphene (چکیده)
10 - Structural analysis of an amino acid ionic liquid: Bulk and electrical double layer (چکیده)
11 - The effect of functionalizing graphene nanosheets on adsorption of Hydroxynaphtol Blue dye, A molecular dynamics simulation (چکیده)
12 - Interactions between water and dye atoms in the adsorption process of Acid Red-88 on graphene nanosheet: A molecular dynamics simulation (چکیده)
13 - The effect of temperature on cation aggregation in dodecyl betaine Nacyl glycinate amino acid ionic liquid: Molecular dynamics simulation investigation (چکیده)
14 - Effect of alkyl chain length on aggregation behavior of amino acid ionic liquid surfactant by molecular dynamics simulation (چکیده)
15 - Molecular dynamics as a tool to study effect of Na+ cations on diffusion of SO2 in Y zeolite (چکیده)
16 - Synthesis and DFT study on Hantzsch reaction to produce asymmetrical compounds of 1,4-dihydropyridine derivatives for P-glycoprotein inhibition as anticancer agent (چکیده)
17 - CO2 gas adsorption into graphene oxide framework: Effect of electric and magnetic field (چکیده)
18 - Metal- and catalyst-free, one-pot, three-component synthesis of propargylamines in magnetized water: experimental aspects and molecular dynamics simulation (چکیده)
19 - Tunable gas adsorption in graphene oxide framework (چکیده)
20 - Magnetic field effect on the structural properties of a peptide model: Molecular dynamics simulation study (چکیده)
21 - Comparing graphene and graphene oxide nanosheets in dye adsorption: Molecular dynamics simulation study (چکیده)
22 - Adsorption of ACID-RED 88 on graphene nanosheet: A molecular dynamics simulation (چکیده)
23 - بررسی تئوری خواص دینامیکی و ریخت شناسی غشاء نافیون حاوی هتروپلی آنیون و ایزوپلی آنیون (چکیده)
24 - Does electric or magnetic field affect reverse osmosis desalination? (چکیده)
25 - The effects of temperature, alkyl chain length, and anion type on thermophysical properties of the imidazolium based amino acid ionic liquids (چکیده)
26 - Water Dynamics and Proton-Transport Mechanisms of Nafion 117/Phosphotungstic Acid Composite Membrane: A Molecular Dynamics Study (چکیده)
27 - Effect of Magnetized Ethanol on the Shape Evolution of Zinc Oxide from Nanoparticles to Microrods: Experimental and Molecular Dynamic Simulation Study (چکیده)
28 - شبیه سازی دینامیک مولکولی الکترولیتهای GdZr2O7 و Nd2Zr2O7: ساختار، هدایت یونی، انبساط حجمی (چکیده)
29 - Temperature and anion type effect on thermophysical properties of the imidazolium based amino acid ionic liquids (چکیده)
30 - Molecular Dynamics Simulation of Keggin HPA Doped Nafion® 117 as Polymer Electrolyte Membrane (چکیده)
31 - Molecular Dynamics Studies of Cation Aggregation in two Amino Acid Ionic Liquids (چکیده)
32 - A Molecular Dynamics Study of SO2 Sorbed in Nonporous Silica Y Zeolite: Temperature and Loading Dependence (چکیده)
33 - The variation of surface free energy of Al during superhydrophobicity processing (چکیده)
34 - A new method for preparing mono-dispersed nanoparticles using magnetized water (چکیده)
35 - The role of hydrogen bond interaction on molecular orientation of alkanolamines through temperature and pressure variation: A mixed molecular dynamics and quantum mechanics study (چکیده)
36 - What is the effect of carbon nanotube shape on desalination process? A simulation approach (چکیده)
37 - Molecular dynamics simulation of amino acid ionic liquids near a graphene electrode: effects of alkyl side-chain length (چکیده)
38 - Structural properties of quercetin by molecular dynamics simulation (چکیده)
39 - Glycerol revisited molecular dynamic simulations of structural, dynamical, and thermodynamic properties (چکیده)
40 - Molecular Dynamics Simulation Study: The Decryption of Bi and Tri Aromatics Behavior with NaX Zeolite (چکیده)
41 - Structural and transport properties and solubility parameter of graphene / glycerol nanofluids: A molecular dynamics simulation study (چکیده)
42 - The Effect of Various Quantum Mechanically Derived Partial Atomic Charges on the Bulk Properties of Chloride-Based Ionic Liquids (چکیده)
43 - Exploring the sensitivity of ZnO nanotubes to tyrosine nitration: ADFT approach (چکیده)
44 - Site specific interaction of aromatic amino acids with ZnO nanotubes: A density functional approach (چکیده)
45 - Transport, thermodynamic, and structural properties of rare earth zirconia-based electrolytes by molecular dynamics simulation (چکیده)
46 - Molecular dynamics simulation study: The reactivation of NaX zeolitecontaminated by bi and tri aromatics using supercritical fluidextraction (چکیده)
47 - Identification of the coke deposited on 13X industrial zeolite molecular sieves during mercaptan removal process (چکیده)
48 - Magnetized property effect of a non-aqueous solvent upon complex formation between kryptofix 22DD with lanthanum(III) cation: experimental aspects and molecular dynamics simulation (چکیده)
49 - Structural and Dynamic Investigation of [EMIM]+[PF6]-Electrolyte: An Atomistic Simulation (چکیده)
50 - Molecular Dynamic Study of [EMIM]+[PF6]- Ionic Liquid near a Monolayer Graphene Surface (چکیده)
51 - Steric Effect in Ancillary Ligand on Cyclometalated Ruthenium (II) Sensitizers in Dye Sensitized Solar Cells (چکیده)
52 - Cyclometalated Ruthenium (II) Electronic Structure Influence on dye-sensitized solar cell performance: A Density Functional Theory (چکیده)
53 - Structural View of Hydrophobic Ionic Liquid on Graphene: Comparing Static and Ab Initio Computer Simulations (چکیده)
54 - Solubility Parameter of Graphene: A MD Simulation Study (چکیده)
55 - Why is the electroanalytical performance of carbon paste electrodes involving ionic liquid binder higher than paraffinic binders? a simulation investigation (چکیده)
56 - Carbon dioxide in monoethanolamine: Interaction and its effect onstructural and dynamic properties by molecular dynamics simulation (چکیده)
57 - Molecular Dynamics Simulation of CO2-MEA Mixtures: Structural View (چکیده)
58 - Nd2-xGdxZr2O7 electrolytes: Thermal expansion and effect of temperature and dopant concentration on ionic conductivity of oxygen (چکیده)
59 - Structure and Dynamic Behaviour of Hydrophobic Ionic Liquids Adsorbed on Graphene Surface (چکیده)
60 - Molecular Dynamics Study of Complex Dopant Electrolyte Nd2–xHoxZr2O7: Structure, Conductivity, and Thermal Expansion (چکیده)
61 - Asphaltene Dispersion via Atomistic Simulation in Benzene (چکیده)
62 - Synthesis, characterization and the interaction of some new water-soluble metal Schiff base complexes with human serum albumin (چکیده)
63 - Magnetic effects on the solvent properties investigated by molecular dynamics simulation (چکیده)
64 - Aniline Adsorption on the End-capped(6,6) single wallCarbon Nanotube; A Theoretical Study (چکیده)
65 - Thermodynamic properties for liquid mercury using GMA equation of state (چکیده)
66 - Vanadyl Binary Schiff Base Complexes Containing N2O2 Coordination Sphere: Synthesis, Ab Initio Calculations and Thermodynamic Properties (چکیده)
67 - Synthesis and characterization of some new Schiff base complexes of group 13 elements, ab initio studies, cytotoxicity and reaction with hydrogen peroxide (چکیده)
68 - Studies of structural, dynamical, and interfacial properties of 1-alkyl-3-methylimidazolium iodide ionic liquids by molecular dynamics simulation (چکیده)
69 - Calculation of Thermodynamic Properties of Refrigerants (چکیده)
70 - Review of some theoretical equations of state for polystyrene (چکیده)
71 - Pressure-Volume-Temperature and Thermodynamic Properties of Some Refrigerants Using an Equation of State (چکیده)
72 - Prediction of Thermodynamic Properties of Several Hydrofluoroether (HFE) Refrigerants Using a New Equation of State (چکیده)
73 - Prediction of Thermodynamic Properties of Some Hydrofluoroether Refrigerants Using a New Equation of State (چکیده)
74 - تعیین رفتار دارو های ضد سرطان سیس پلاتین در مجاورت نوکلئوتیدهای رشته ی DNAو چگونگی رفتار آنها در شرایط محیطی متفاوت با کمک روش های مکانیک کوانتوم (چکیده)
75 - بررسی اثر ترکیبات دارویی ضد سرطانی 1-آریلیدن آمینو 2-آمینو ایمید ازول توسط روش های اصول اولیه ی شیمیایی (چکیده)
76 - Phase Equilibria and PVTPredictions for Liquid Fluorine Using GMA Equation of State (چکیده)
77 - بررسی انتقالات فازی ترکیب دارویی ضدسرطان کلرید سزیم و اثرات نانولولههای کربنی بر این انتقالات فازی توسط روشهای دینامیک مولکولی (چکیده)
78 - بررسی برهم کنش های ترکیبات دارویی ضدسرطان با نانو لوله های کربنی توسط روش های شبیه سازی دینامیک مولکولی (چکیده)
79 - Alkyl chain length, anion, and cation type effects on mercury extraction by ionic liquids (چکیده)
80 - Ionic liquids-solvent for future: thermophysical, structure, and electronic properties (چکیده)
81 - Hydrophobicity and hydrophilicity in ionic liquids: car-parrinello and classical molecular dynamics simulation (چکیده)
82 - Molecular dynamic simulation of bulk and surface structure of the ionic liquids 1-alkyl-3-methylimidazolium iodides (چکیده)
83 - Physisorption of hydrophobic and hydrophilic imidazolium based ionic liquids on the circumcoronene surface (چکیده)
84 - The correlation of interaction energy with critical point temperature of ionic liquids obtained from surface tension (چکیده)
85 - Active C-H bond and rational of the anion-cation structural pattern in the ionic liquids 1-alkyl-3-methylimidazolium Chloride (چکیده)
86 - Bulk and Surface Properties of Formate Esters by the Application of SAFT-VR and Molecular Dynamics Simulation (چکیده)
87 - Molecular Dynamics Simulation Studies of Some New Aspects of Structural and Dynamical Properties of n-Butyl Formate at Varying Temperature (چکیده)
88 - Physisorption of Hydrophobic and Hydrophilic 1-alkyl-3-methylimidazolium Ionic Liquids on the Graphite Plate Surface (چکیده)
89 - The extent of molecular orientation at liquid/vapor interface of pyridine and its alkyl derivatives by molecular dynamics simulation (چکیده)
90 - Synthesis, ab initio Calculations, Thermal, Thermodynamic and Antioxidant Properties of Some Oxovanadium(IV) Complexes Containing N2O2 Set of Donor Atoms (چکیده)
91 - Synthesis, Characterization, Ab initio Calculations, Thermal Behavior and Thermodynamics of Some Oxovanadium(IV) Complexes Involving O,O- and N,N-Donor Moieties (چکیده)
92 - Critical Point Temperature of Ionic Liquids from Surface Tension at Liquid-Vapor Equilibrium and the Correlation with Interaction Energy (چکیده)
93 - A Perturbed Hard-Sphere Equation of State for Liquid Metals (چکیده)
94 - Temperature-Dependent Density and Viscosity of the Ionic Liquids 1-Alkyl-3-methylimidazolium Iodides: Experiment and Molecular Dynamics Simulation (چکیده)
95 - Temperature Dependence of Viscosity and Relation with the Surface Tension of Ionic Liquids (چکیده)
96 - Prediction of the volumetric and thermodynamic properties of some refrigerants using GMA equation of state (چکیده)