امیر ناصر شمخالی

88 - S Shahabipour, AN Shamkhali, N Razzaghi-Asl,Cytotoxic monastrol derivatives as adjective inhibitors of drug-resistant Eg5: a molecular dynamics perspective,2024
87 - M Khadem Sadigh, AN Shamkhali, R Teimuri-Mofrad, S Mozaffarnia,Polarity-induced effects on the responses of some molecules with piperazine ring: medically important molecules in linear and nonlinear optics,2024
86 - H Sahrai, R Kian, AN Shamkhali, R Kheradmand, MS Zakerhamidi,Evaluation of solvent effect on the effective interactions of Isotretinoin and Tretinoin: Isomeric forms of vitamin A,2024
85 - F Nakhostin-Allaf, H Eskandari, AN Shamkhali, A Heydari,Determination of Orange II and Sulfasalazine in Food, Tablets, Urine, Soil, and Water by In Situ Preparation of Nickel Hydroxide Nanoflakes/Magnetite Nanoparticles for Magnetic …,2023
84 - H Rostami Dana, M Abedi, AN Shamkhali,DFT-TDDFT study of a dinuclear Cobalt (II) complex with a 20-membered macrocyclic ligand,2023
83 - M Khadem Sadigh, AN Shamkhali,Environment polarity effects on the microscopic nonlinear optical properties of some asymmetrical azobenzene molecules,2023
82 - S Ramezanzadeh, H Akbarzadeh, E Mehrjouei, AN Shamkhali, ...,Yolk-shell nanoparticles with different cores: A molecular dynamics study,2022
81 - H Akbarzadeh, E Mehrjouei, AN Shamkhali, M Abbaspour, C Izanloo, ...,Concave Pd-M (M= Co, Ni, Cu, Rh, Ag, Ir, Pt, and Au) nanocubes explored by molecular dynamics simulations: A liquid-like expansion mechanism,2022
80 - MK Sadigh, AN Shamkhali, R Teimuri-Mofrad, S Mozaffarnia, ...,Polarity effects on the optical responses of some biologically active molecules with different substituents,2022
79 - MK Sadigh, MS Zakerhamidi, AN Shamkhali,Contribution of environment polarity effects on the nonlinear hyperpolarizability and linear optical characteristics of some phenothiazines,2021
78 - H Akbarzadeh, E Mehrjouei, M Abbaspour, AN Shamkhali, C Izanloo, ...,Pt core confined within an Au skeletal frame: Pt@ Void@ Au nanoframes in a molecular dynamics Perspective,2021
77 - M Abedi, RJ Butcher, AN Shamkhali, V Spasojevic, K Al-Ameed, P Abedi,Synthesis, structure, magnetic properties and DFT study of a dinuclear copper (II) macrocyclic complex containing acetate groups,2021
76 - Ç Kaderoğlu, AN Shamkhali, F Safdari, M Abedi, Ş Ellialtıoğlu,Mechanism of Transition Metal Interaction with Graphene Sheet Reflected in its Plasmonic Excitations: Effect of Gas Adsorption Phenomena Studied by a Combination of Solid State …,2021
75 - L Sabahi-Agabager, H Eskandari, F Nasiri, AN Shamkhali, SB Sefidan,Properties of a furan ring-opening reaction in aqueous micellar solutions for selective sensing of mesalazine,2021
74 - N Safari, G Imanzadeh, R Asgharzadeh, ST Hosseyni, AN Shamkhali, ...,Highly functionalized pyrazolines from symmetric and asymmetric 1, 2-disulfonylhydrazines: a combination of experimental and DFT perspectives,2021
73 - H Akbarzadeh, E Mehrjouei, AN Shamkhali, S Ramezanzadeh, ...,Stability of Pd@ void@ M (M= Ni, Ag, and Pt) yolk shell nanoparticles controlled by structural factors: A molecular dynamics perspective,2021
72 - B Seyednoruziyan, MR Zamanloo, MD Esrafili, AN Shamkhali, T Alizadeh, ...,Y-shape structured azo dyes with self-transforming feature to zwitterionic form as sensitizer for DSSC and DFT investigation of their photophysical and charge transfer properties,2021
71 - M Farhadi, Z Sanadgol, SB Jameie, E Kashani, NN Pesyan, R Kian, ...,Evaluation of Newly Synthesized Chalcone Derivatives effect on PC12 Cells in in vitro model of the Parkinson's disease as a potential Treatment,2021
70 - F Rostami, M Abedi, AN Shamkhali, M Akkurt, Ö Çelik, G Mahmoudi, ...,Spectral, structural, and theoretical investigation of a cationic Nickel (II) complex with N4S2-donor Schiff-base ligand and perchlorate counterions,2021
69 - H Akbarzadeh, E Mehrjouei, M Abbaspour, AN Shamkhali,Melting behavior of bimetallic and trimetallic nanoparticles: a review of MD simulation studies,2021
68 - B Seyednoruziyan, MR Zamanloo, AN Shamkhali, T Alizadeh, S Noruzi, ...,Improving the optoelectronic efficiency of novel meta-azo dye-sensitized TiO2 semiconductor for DSSCs,2021
67 - B Rostampour, D Seifzadeh, M Abedi, AN Shamkhali,Synthesis and Characterization of a New N4S2 Schiff base and Investigation of its Adsorption and Corrosion Inhibition Effect by Experimental and Theoretical …,2020
66 - R Kian, MS Zakerhamidi, A Ranjkesh, AN Shamkhali, B Taheri, ...,Investigation of the spectroscopic features along with the media polarity effect in some symmetrical disc-shaped liquid crystals,2020
65 - R Kian, MS Zakerhamidi, AN Shamkhali, E Kashani, NN Pesyan,Investigation of interactional behavior and relative photo-physical properties in a group of bioactive compounds,2019
64 - MK Sadigh, MS Zakerhamidi, AN Shamkhali, B Shaabani, ...,Investigation on environmental sensitivity characteristics of pyridine compounds with different position of N-atoms and various active functional groups,2019
63 - A Mehranfar, M Izadyar, AN Shamkhali,Theoretical study on alkaloid encapsulating via monohydroxy-cucurbit [n] uril (n= 8, 10)/graphene oxide composite,2019
62 - T Abdinejad, MR Zamanloo, NO Mahmoodi, T Alizadeh, AN Shamkhali,Colorimetric sensing of cyanide ion by pyromellitic diimides synthesized in one step from commercially available reactants,2019
61 - Ç Kaderoğlu, AN Shamkhali, M Kaya, Ş Ellialtıoğlu,Adsorption of Nickel Nanoclusters on Graphene Sheet for Gas Sensor Applications,2019
60 - R Kian, MS Zakerhamidi, AN Shamkhali,The solvatochromic behavior of vitamins A and B groups in different solvent media,2019
59 - R Kian, MS Zakerhamidi, AN Shamkhali, E Kashani,Study of the variation of intra/intermolecular interactions and configuration of a group of Enone anticancer drugs as a result of solvation,2019
58 - H Akbarzadeh, E Mehrjouei, AN Shamkhali, M Abbaspour, S Salemi, ...,Au–Fe nanoparticles visited by MD simulation: structural and thermodynamic properties affected by chemical composition,2018
57 - A Mehranfar, M Izadyar, AN Shamkhali,A joint MD/QM study on the possibility of alkaloids detection by cucurbiturils and graphene oxide-cucurbituril composites,2018
56 - F Safdari, AN Shamkhali, M Tafazzoli, G Parsafar,Adsorption of pollutant cations from their aqueous solutions on graphitic carbon nitride explored by density functional theory,2018
55 - SB Sefidan, H Eskandari, AN Shamkhali,Rapid colorimetric flow injection sensing of hypochlorite by functionalized graphene quantum dots,2018
54 - M Mousavi, A Habibi-Yangjeh, D Seifzadeh, AN Shamkhali, M Abedi,Preparation and investigation on photocatalytic activity of some novel magnetically separable visible-light-driven photocatalysts based on g-C3N4,2018
53 - H Akbarzadeh, E Mehrjouei, A Moradi, AN Shamkhali,Rattle, porous, and dense cores and discontinuous porous, continuous porous, and dense shells in Pt@ Au core–shell nanoparticles,2018
52 - TH Largani, G Imanzadeh, NN Pesyan, E Şahin, AN Shamkhali, B Notash,A facile and regioselective one-pot synthesis of novel pyrazolo[1,5:1,2]pyrrolo[3,4-b]quinoline-2,3-dicarboxylate hybrids via intramolecular Wittig reaction,2018
51 - H Akbarzadeh, E Mehrjouei, AN Shamkhali, M Abbaspour, S Salemi, ...,Unexpected trend for thermodynamic stability of Au@ void@ AgAu yolk-shell nanoparticles: A molecular dynamics study,2018
50 - H Akbarzadeh, AN Shamkhali, M Abbaspour, S Salemi, Z Hajizadeh,Effect of pt addition to agau bimetallic nanoclusters: a molecular dynamics study of agaupt ternary system,2017
49 - TH Largani, G Imanzadeh, NN Pesyan, E Şahin, AN Shamkhali, B Notash,A facile and regioselective one-pot synthesis of novel pyrazolo [1 [Formula: see text], 5 [Formula: see text]: 1, 2] pyrrolo [3, 4-b] quinoline-2, 3-dicarboxylate hybrids via …,2017
48 - AN Shamkhali, F Kouzegar Azari,Investigation on volumetric properties of 1-butyl-3-methylimidazolium hexafluorophosphate ionic liquid, acetonitrile, and their mixture using molecular dynamics simulation,2017
47 - B Salamaty Kheiavy, M Abedi, AN Shamkhali,Synthesis, Caracterization and Coordination Study of New Schiff-Base Ligand Containing Alcohol Group with Some of the Transition Metals,2017
46 - Z Nourizadeh, M Abedi, AN Shamkhali,Synthesis, Characterization and Coordination Study of a Number of Tetraaza-Macrocyclic Complexes.,2017
45 - F Payami, B Bezaatpour, H Eskandari, AN Shamkhali,Immobilization of Phenoxy Butane Based Tetradentate Schiff base Complex of di-oxo-Mo (VI) on Magnetite Nanoparticles as a Magnetically Separable Nanocatalyst for Epoxidation of …,2017
44 - R Kian, MS Zakerhamidi, AN Shamkhali, R Teimuri-Mofrad, K Rahimpour,Media and solute–solvent interaction effects on the photo–physical behavior of some drugs of 4H–Pyran derivatives,2017
43 - R Kian, MS Zakerhamidi, AN Shamkhali, P Nesari,The interactional behaviors and photo-physical properties of two triarylmethane drugs in solvent media,2017
42 - H Akbarzadeh, E Mehrjouei, M Sherafati, AN Shamkhali,Dumbbell-like, core–shell and Janus-like configurations in Pd@ Au@ Pd three-shell nanoalloys: a molecular dynamics study,2017
41 - H Akbarzadeh, AN Shamkhali, M Abbaspour, S Salemi, Z Attaran,A comprehensive molecular dynamics investigation on confinement of PtnCum nanocluster inside carbon nanotubes,2017
40 - H Akbarzadeh, E Mehrjouei, AN Shamkhali, M Abbaspour, S Salemi, ...,New molecular insights into the stability of Ni–Pd hollow nanoparticles,2017
39 - E Mehrjouei, H Akbarzadeh, AN Shamkhali, M Abbaspour, S Salemi, ...,Delivery of cisplatin anti-cancer drug from carbon, boron nitride, and silicon carbide nanotubes forced by Ag-nanowire: a comprehensive molecular dynamics study,2017
38 - H Akbarzadeh, AN Shamkhali, E Mehrjouei,Ag–Au bimetallic nanoclusters formed from a homogeneous gas phase: a new thermodynamic expression confirmed by molecular dynamics simulation,2017
37 - MK Sadigh, MS Zakerhamidi, AN Shamkhali, E Babaei,Photo-physical behaviors of various active forms of curcumin in polar and low polar environments,2017
36 - H Akbarzadeh, E Mehrjouei, AN Shamkhali,Au@Void@Ag Yolk–Shell Nanoclusters Visited by Molecular Dynamics Simulation: The Effects of Structural Factors on Thermodynamic Stability,2017
35 - H Akbarzadeh, E Mehrjouei, AN Shamkhali, M Abbaspour, S Salemi, ...,Au@ void@ AgAu yolk–shell nanoparticles with dominant strain effects: a molecular dynamics simulation,2017
34 - H Akbarzadeh, AN Shamkhali, M Abbaspour, S Salemi, E Khomarian,AunPdm nanoclusters supported on bundles of nanotubes and graphite surface: A comprehensive molecular dynamics study,2016
33 - T Alizadeh, AN Shamkhali, Y Hanifehpour, SW Joo,A Ca 2+ selective membrane electrode based on calcium-imprinted polymeric nanoparticles,2016
32 - D Seifzadeh, A Bezaatpour, AN Shamkhali, H Basharnavaz,Experimental and theoretical studies to examine the inhibition effect of a Schiff base against magnesium corrosion,2016
31 - H Akbarzadeh, AN Shamkhali, M Abbaspour, S Salemi, Z Attaran,A molecular dynamics study of the effect of the substrate on the thermodynamic properties of bound Pt–Cu bimetallic nanoclusters,2016
30 - T Alizadeh, A Bagherzadeh, AN Shamkhali,Synthesis of nano-sized stereoselective imprinted polymer by copolymerization of (S)-2-(acrylamido) propanoic acid and ethylene glycol dimethacrylate in the presence of racemic …,2016
29 - ANS Taher Alizadeh,Chiral resolution of salbutamol in plasma sample by a new chiral ligand-exchange chromatography method after its extraction with nano-sized imprinted polymer,2016
28 - SF Asbaghian Namin, R Pilafkan, AN Shamkhali,Free Vibration Analysis of Nanoplates Using Nanlocal Elasticity Theory and Molecular Dynamics Simulation,2016
27 - M Abedi, AN Shamkhali, RJ Butcher, AA Khandar, P Garczarek, ...,Synthesis, characterization, crystal structure and DFT study of a dinuclear zinc (II) macrocyclic complex,2016
26 - M Abedi, K Kirschbaum, AN Shamkhali, CR Brue, AA Khandar,Synthesis, characterization and crystal structure of dinuclear cobalt (II) macrocyclic complexes, containing thiocyanate and azide groups,2016
25 - ANS Elmira Fanaei Khosroshahi, Amir Heydaria, Behruz Mirzayi,A model to calculate concentration-dependent surface tension of binary systems,2016
24 - H Akbarzadeh, AN Shamkhali, F Taherkhani,Adsorption of He–Ar binary mixture on the silver nanoclusters: A molecular dynamics investigation on the effects mole fraction of mixture, shape and size of the nanocluster,2016
23 - H Akbarzadeh, M Abbaspour, S Salemi, A Masoumi, AN Shamkhali,A modified thermodynamic insight to deliquescence of a void‐containing nanocrystal confirmed by MD simulation,2016
22 - H Akbarzadeh, AN Shamkhali, M Abbaspour, S Salemi,Molecular dynamics investigation on the deliquescence of NH 4 Cl and NH 4 NO 3 nanoparticles under atmospheric conditions,2015
21 - E Fanaei Khosroshahi, A Heydari, B Mirzayi, AN Shamkhali,Experimental Investigation and Prediction of Surface Tension of Binary Aqueous Mixtures,2015
20 - F Rostami, AN Shamkhali, M Abedi, A Bezaatpor,Investigation on the electronic structure and properties of N4S2 Schiff base ligand and its complexes with some of the transition metals using DFT,2015
19 - M Talebi, AN Shamkhali, M Abedi,Investigation on the Electronic structure and properties of N4O2 Schiff ligand and its complexes with some of the transition metals using DFT,2015
18 - H Akbarzadeh, AN Shamkhali,Melting behavior of (PdₓPt₁₋ ₓ) ₙ nanoclusters confined in single-walled carbon nanotubes: a molecular dynamics investigation on the effects of chirality and diameter of …,2015
17 - H Akbarzadeh, AN Shamkhali, M Abbaspour, S Salemi,Molecular dynamics investigation on the deliquescence of NH₄Cl and NH₄NO₃ nanoparticles under atmospheric conditions,2015
16 - H Akbarzadeh, AN Shamkhali,Melting behavior of (Pd x Pt 1− x) n nanoclusters confined in single-walled carbon nanotubes: a molecular dynamics investigation on the effects of chirality and diameter of …,2015
15 - H Akbarzadeh, AN Shamkhali,H2 adsorption on Ag‐nanocluster/single‐walled carbon nanotube composites: A molecular dynamics study on the effects of nanocluster size, diameter, and chirality of nanotube,2015
14 - MS Zakerhamidi, SG Sorkhabi, AN Shamkhali,Polar and low polar solvents media effect on dipole moments of some diazo Sudan dyes,2014
13 - H Akbarzadeh, H Yaghoubi, AN Shamkhali, F Taherkhani,CO adsorption on Ag nanoclusters supported on carbon nanotube: a molecular dynamics study,2014
12 - MM Najafpour, M Hołyńska, AN Shamkhali, SH Kazemi, W Hillier, E Amini, ...,The role of nano-sized manganese oxides in the oxygen-evolution reactions by manganese complexes: towards a complete picture,2014
11 - AN Shamkhali, H Akbarzadeh,A molecular dynamics investigation of hydrogen adsorption on Ag–Cu bimetallic nanoclusters supported on a bundle of single-walled carbon nanotubes,2014
10 - H Akbarzadeh, H Yaghoubi, AN Shamkhali, F Taherkhani,Effects of gas adsorption on the graphite-supported Ag nanoclusters: a molecular dynamics study,2013
9 - D Seifzadeh, S Hamzedoust-Hasankiadeh, AN Shamkhali,Electrochemical and DFT studies of 8-hydroxyquinoline as corrosion inhibitor for AZ61 magnesium alloy in acidic media,2013
8 - MM Najafpour, W Hillier, AN Shamkhali, M Amini, K Beckmann, Z Jagličić, ...,Synthesis, characterization, DFT studies and catalytic activities of manganese (II) complex with 1, 4-bis (2, 2′: 6, 2′′-terpyridin-4′-yl) benzene,2012
7 - MR Zamanloo, A nasser Shamkhali, M Alizadeh, Y Mansoori, ...,A novel barbituric acid-based azo dye and its derived polyamides: Synthesis, spectroscopic investigation and computational calculations,2012
6 - MM Najafpour, M Hołyńska, AN Shamkhali, M Amini, SH Kazemi, ...,New mononuclear manganese (II) complexes with 2, 4, 6-tris (2-pyridyl)-1, 3, 5-triazine (tptz)–selective catalyst in UHP oxidation of sulfides,2012
5 - AN Shamkhali, G Parsafar,Effect of side by side interactions on the thermodynamic properties of adsorbed CO molecules on the Ni (111) surface: a cluster model study,2010
4 - AR SA, SA Mousavi, E Seyedjafari, R Poursalehi, S Sareh, K Silakhori, ...,Polycarbonate surface cell's adhesion examination after Nd: YAG laser irradiation,2009
3 - GA Parsafar, F Yasi, AN Shamkhali,Investigation of CO Adsorption on Ni Surface with Regarding the Nearest-Neighbor Interactions between Adsorbates,2008
2 - AN Shamkhali, Parsafar,Effect of model potential of adsorptive bond on the thermodynamic properties of adsorbed CO molecules on Ni (111) surface,2006
1 - A Shamkhali, GA Parsafar,Variation of the Ni-Ni Binding Energy with the Cluster Size and Spin Multiplicity