دانشکده شیمی
صفحات مخفی
سوابق پژوهشی دکتر هاشمیان زاده

مقالات چاپ شده در مجلات

Journal Publications
  1. Seyed Mostafa Rahimian-Koloor, Seyed Majid Hashemianzadeh, Mahmood M. Shokrieh: Effect of CNT structural defects on the mechanical properties of CNT/Epoxy nanocomposite. Physica B Condensed Matter 04/2018; 540., DOI:10.1016/j.physb.2018.04.012
  2. Ali Mirzaeinia, Farzaneh Feyzi, Seyed Majid Hashemianzadeh: Equations of state for the fully flexible WCA chains in the fluid and solid phases based on Wertheims-TPT2. The Journal of Chemical Physics 03/2018; 148(10):104502., DOI:10.1063/1.5018789
  3. Zahra Khatti, Seyed Majid Hashemianzadeh, Seyed Ali Shafiei: A Molecular Study on Drug Delivery System Based on Carbon Nanotube Compared to Silicon Carbide Nanotube for Encapsulation of Platinum-Based Anticancer Drug. Advanced Pharmaceutical Bulletin 03/2018; 8(1):163-167., DOI:10.15171/apb.2018.020
  4. Seyed Mostafa Rahimian-Koloor, Hadi Moshrefzadeh-Sani, Seyed Majid Hashemianzadeh, Mahmood Mehrdad Shokrieh: The effective stiffness of an embedded graphene in a polymeric matrix. Current Applied Physics 02/2018; 18(5)., DOI:10.1016/j.cap.2018.02.007
  5. Sousa Javan Nikkhah, Mohammad Reza Moghbeli, Seyed Majid Hashemianzadeh: A Quantitative Correlation between Polyethylene/Graphene Interfacial Viscoelastic Dissipation and Deformation Parameters: A Molecular Simulation Study. International Journal of Adhesion and Adhesives 02/2018; 84., DOI:10.1016/j.ijadhadh.2018.02.032
  6. Seyed Mostafa Rahimian-Koloor, Hadi Moshrefzadeh-Sani, Mahmood Mehrdad Shokrieh, Seyed Majid Hashemianzadeh: On the behavior of isolated and embedded carbon nano-tubes in a polymeric matrix. Materials Research Express 02/2018; 5(2)., DOI:10.1088/2053-1591/aaac4e
  7. Ali Mirzaeinia, Farzaneh Feyzi, Seyed Majid Hashemianzadeh: Equation of state and Helmholtz free energy for the atomic system of the repulsive Lennard-Jones particles. The Journal of Chemical Physics 12/2017; 147(21):214503., DOI:10.1063/1.4997256
  8. Samaneh Bagheri novir, seyed majid hashemianzadeh: Quantum chemical investigation of structural and electronic properties of trans – and cis- structures of some azo dyes for Dye-Sensitized Solar Cells. Computational and Theoretical Chemistry 01/2017; 1102., DOI:10.1016/j.comptc.2017.01.009
  9. Sousa Javan Nikkhah, Mohammad Reza Moghbeli, Seyed Majid Hashemianzadeh: Dynamic Study of Deformation and Adhesion of an Amorphous Polyethylene/Graphene Interface: A Simulation Study. Macromolecular Theory and Simulations 10/2016; 25(6)., DOI:10.1002/mats.201600069
  10. Amin Khorsandi-Langol, Kiana Gholamjani Moghaddam, Seyed Majid Hashemianzadeh, Zabiollah Mahdavifar: Tuning of Elastic Properties of Nanotubes by Imposing Transverse Electric Field: Computational Approach. The Journal of Physical Chemistry C 07/2016; 120(31)., DOI:10.1021/acs.jpcc.6b05703
  11. Sara Roosta, Seyed Majid Hashemianzadeh, Sepideh Ketabi: Encapsulation of cisplatin as an anti-cancer drug into boron-nitride and carbon nanotubes: Molecular simulation and free energy calculation. Materials Science and Engineering C 04/2016; 67., DOI:10.1016/j.msec.2016.04.100
  12. Zahra Khatti, Seyed Majid Hashemianzadeh: Boron nitride nanotube as a delivery system for platinum drugs: Drug encapsulation and diffusion coefficient prediction. European journal of pharmaceutical sciences: official journal of the European Federation for Pharmaceutical Sciences 04/2016; 88., DOI:10.1016/j.ejps.2016.04.011
  13. Sara Roosta, Sousa Javan Nikkhah, Mehdi Sabzali, seyed majid hashemianzadeh: Molecular dynamic simulation study of Boron-Nitride Nanotubes as a drug carrier: from encapsulation to releasing. RSC Advances 01/2016; 6(11)., DOI:10.1039/C5RA22945F
  14. Mahboobeh Eslami, Sousa Javan Nikkhah, Seyed Majid Hashemianzadeh, Seyed Abolfazl Seyed Sajadi: The compatibility of Tacrine molecule with poly(n-butylcyanoacrylate) and Chitosan as efficient carriers for drug delivery: A Molecular Dynamics Study. European journal of pharmaceutical sciences: official journal of the European Federation for Pharmaceutical Sciences 11/2015; 82., DOI:10.1016/j.ejps.2015.11.014
  15. Samaneh Bagheri Novir, Seyed Majid Hashemianzadeh: Computational study of new azo dyes with different anchoring groups for Dyes Sensitized Solar Cells. Molecular Physics 10/2015;
  16. Zahra Khatti, Seyed Majid Hashemianzadeh: Investigation of thermodynamic and structural properties of drug delivery system based on carbon nanotubes as a carboplatin drug carrier by molecular dynamics simulations. Journal of inclusion phenomena and macrocyclic chemistry 10/2015; 83(1-2)., DOI:10.1007/s10847-015-0549-0
  17. Sousa Javan Nikkhah, Mohammad Reza Moghbeli, Seyed Majid Hashemianzadeh: A molecular simulation study on adhesion behavior of functionalized polyethylene-functionalized graphene interface. Physical Chemistry Chemical Physics 09/2015; 17(41)., DOI:10.1039/c5cp04699h
  18. Kiana Gholamjani Moghaddam, seyed majid hashemianzadeh: The Effect of Amino Substituents on the Interactions of Quinazolone Derivatives with c-KIT G-Quadruplex: Insight from Molecular Dynamics Simulation Study to Rational Design of Ligands. RSC Advances 09/2015; 5(93)., DOI:10.1039/C5RA13615F
19.          Mahboobeh Eslami, Seyed Majid Hashemianzadeh, Kiana Gholamjani Moghaddam, Amin Khorsandi-Lagol, Seyed Abolfazl Seyed Sajadi: Computational evidence to design an appropriate candidate for the treatment of Alzheimer's disease through replacement of the heptamethylene linker of bis(7)tacrine with S-allylcysteine. RSC Advances 08/2015; 5(82)., DOI:10.1039/C5RA11346F
20.          S. Javan Nikkhah, M.R. Moghbeli, S.M. Hashemianzadeh: Investigation of the interface between polyethylene and functionalized graphene: A computer simulation study. Current Applied Physics 07/2015; 15(10)., DOI:10.1016/j.cap.2015.07.007
21.          Mahboobeh Eslami, Seyed Majid Hashemianzadeh, Kowsar Bagherzadeh, Seyed Abolfazl Seyed Sajadi: Molecular perception of interactions between bis(7)tacrine and cystamine-tacrine dimer with cholinesterases as the promising proposed agents for the treatment of Alzheimer’s disease. Journal of biomolecular Structure & Dynamics 06/2015; 34(4):1-48., DOI:10.1080/07391102.2015.1057526
22.          S Javan Nikkhah, M R Moghbeli, S M Hashemianzadeh: Interfacial adhesion between functionalized polyethylene surface and graphene via molecular dynamic simulation. Journal of Molecular Modeling 05/2015; 21(5):2665., DOI:10.1007/s00894-015-2665-6
23.          Samaneh Bagheri Novir, Seyed Majid Hashemianzadeh: Density functional theory study of new azo dyes with different π-spacers for dye-sensitized solar cells. Spectrochimica Acta Part A Molecular Spectroscopy 02/2015; 143., DOI:10.1016/j.saa.2015.02.026
24.          M. M. Shokrieh, Z. Shokrieh, S. M. Hashemianzadeh: A novel combined molecular dynamics–micromechanics method for modeling of stiffness of graphene/epoxy nanocomposites with randomly distributed graphene. Materials and Design 12/2014; 64:96–101., DOI:10.1016/j.matdes.2014.07.031
25.          Hussein Gharibi, Zahra Khodadadi, S. Morteza Mousavi-Khoshdel, S. Majid Hashemianzadeh, Soheila Javadian: Mixed Micellization of Gemini and Conventional Surfactant in Aqueous Solution, a Lattice Monte Carlo Simulation. Journal of Molecular Graphics and Modelling 09/2014; 53., DOI:10.1016/j.jmgm.2014.07.014
26.          Samaneh Bagheri Novir, Seyed Majid Hashemianzadeh: Computational investigation of low band gap dyes based on 2-styryl-5-phenylazo-pyrrole for Dye-Sensitized Solar Cells. Current Applied Physics 08/2014; 14:1401., DOI:10.1016/j.cap.2014.07.016
27.          Ehsan Masumian, Seyed Majid Hashemianzadeh, Alireza Nowroozi: Hydrogen adsorption on SiC nanotube under transverse electric field. Physics Letters A 07/2014; 378(34)., DOI:10.1016/j.physleta.2014.07.001
28.          Behnoosh Tajik, Beheshteh Sohrabi, Reza Amani, S. Majid Hashemianzadeh: The study of polymer–surfactant interaction in catanionic surfactant mixtures. Colloids and Surfaces A Physicochemical and Engineering Aspects 09/2013; 436:890-897., DOI:10.1016/j.colsurfa.2013.07.026
29.          Fariba Taghavi, Soheila Javadian, Seyed Majid Hashemianzadeh: Molecular dynamics simulation of single-walled silicon carbide nanotubes immersed in water. Journal of molecular graphics & modelling 05/2013; 44C:33-43., DOI:10.1016/j.jmgm.2013.04.012
30.          Sepideh Ketabi, Seyed Majid Hashemianzadeh, Morteza Moghimiwaskasi: Study of DNA base-Li doped SiC nanotubes in aqueous solutions: A computer simulation study. Journal of Molecular Modeling 01/2013; 19(4)., DOI:10.1007/s00894-012-1721-8
31.          Morteza Moghimi Waskasi, Seyed Majid Hashemianzadeh, Asqar Pourhassan Harzandi: Computational model of hydrogen production by Coumarin-dye-sensitized water splitting to absorb the visible light in a local electric field. Energy Conversion and Management 10/2012; 62:154–164., DOI:10.1016/j.enconman.2012.03.014
32.          Kohdadad Nazari, Vahid Kelay, Ali Mahmoudi, Seyed Majid Hashemianzadeh: Binding of Divalent Metal Ions to Calcium-Free Peroxidase: Thermodynamic and Kinetic Studies. Chemistry & Biodiversity 09/2012; 9(9):1806-22., DOI:10.1002/cbdv.201200043
33.          Soheila Javadian, Fariba Taghavi, Faramarz Yari, Seyed Majid Hashemianzadeh: Phase transition study of confined water molecules inside carbon nanotubes: Hierarchical multiscale method from molecular dynamics simulation to ab initio calculation. Journal of molecular graphics & modelling 06/2012; 38C:40-49., DOI:10.1016/j.jmgm.2012.05.009
34.          Seyedehsaleheh Razavi, Seyed Majid Hashemianzadeh, Seyedehfatemeh Razavi, Sahra Balilehvand, Faramarz Yari, Fatemeh Sigarchi: A Combined Ab-Initio and Monte-Carlo Investigation of an Equimolar H2/He Mixture Adsorption in Silicon Nanotubes: Temperature, Pressure, and Pore Size Effects. Journal of Computational and Theoretical Nanoscience 05/2012; 9(5):737-744., DOI:10.1166/jctn.2012.2088
35.          Zahra Khodadadi, S Morteza Mousavi-Khoshdel, Hussein Gharibi, Seyed Majid Hashemianzadeh, Sohaila Javadian: Monte Carlo simulation of binary surfactant/contaminant/water systems. Journal of molecular graphics & modelling 03/2012; 36:20-9., DOI:10.1016/j.jmgm.2012.03.003
36.          Haleh Hashemi Haeri, Sepideh Ketabi, Seyed Majid Hashemianzadeh: The solvation study of carbon, silicon and their mixed nanotubes in water solution. Journal of Molecular Modeling 01/2012; 18(7):3379-88., DOI:10.1007/s00894-011-1339-2
37.          Morteza Moghimi Waskasi, Seyed Majid Hashemianzadeh: Significant enhancement in efficiency of NKX-2807 Coumarin dye by applying external electric field in dye sensitizer solar cell: Theoretical study. Computational and Theoretical Chemistry 12/2011; 978(1-3)., DOI:10.1016/j.comptc.2011.09.029
38.          Seyed Majid Hashemianzadeh, Morteza Moghimi Waskasi, Asqar Pourhassan Harzandi: A high-light-harvesting-efficiency of NKX-2593 and NKX-2883 Coumarin dyes in a local electric field: Can a local electric field enhance dye sensitizer solar cells efficiently?. Journal of Photochemistry and Photobiology A Chemistry 12/2011; 225(1):95-105., DOI:10.1016/j.jphotochem.2011.10.004
39.          K. Azizi, S. Majid Hashemianzadeh, Sh. Bahramifar: Density functional theory study of carbon monoxide adsorption on the inside and outside of the armchair single-walled carbon nanotubes. Current Applied Physics 05/2011; 11(3):776-782., DOI:10.1016/j.cap.2010.11.071
40.          Seyedeh Saleheh Razavi, Seyed Majid Hashemianzadeh, Hedayat Karimi: Modeling the adsorptive selectivity of carbon nanotubes for effective separation of CO2/N-2 mixtures. Journal of Molecular Modeling 05/2011; 17(5):1163-72., DOI:10.1007/s00894-010-0810-9
41.          Sepideh Ketabi, Haleh Hashemi Haeri, Seyed Majid Hashemianzadeh: Solvation free energies of glutamate and its metal complexes: A computer simulation study. Journal of Molecular Modeling 04/2011; 17(4):889-98., DOI:10.1007/s00894-010-0776-7
42.          Zabiollah Bolboli Nojini, Amir Abbas Rafati, Seyed Majid Hashemianzadeh, Sepideh Samiee: Predicting helium and neon adsorption and separation on carbon nanotubes by Monte Carlo simulation. Journal of Molecular Modeling 04/2011; 17(4):785-94., DOI:10.1007/s00894-010-0769-6
43.          Sahra Balilehvand, Seyed Majid Hashemianzadeh, SeyedehSaleheh Razavi, Hedayat Karimi: Investigation of hydrogen and methane adsorption/separation on silicon nanotubes: A hierarchical multiscale method from quantum mechanics to molecular simulation. Adsorption 02/2011; 18(1)., DOI:10.1007/s10450-011-9375-x
44.          Niaz Poorgholami-Bejarpasi, Majid Hashemianzadeh, S Morteza Mousavi-Khoshdel, Beheshteh Sohrabi: Role of Interaction Energies in the Behavior of Mixed Surfactant Systems: A Lattice Monte Carlo Simulation. Langmuir 09/2010; 26(17):13786-96., DOI:10.1021/la100330c
45.          Beheshteh Sohrabi, Azita Bazyari, Majid Hashemianzadeh: Effect of ethylene gycol on micellization and surface properties of Gemini surfactant solutions. Colloids and Surfaces A Physicochemical and Engineering Aspects 07/2010; 364(1-3-364):87-93., DOI:10.1016/j.colsurfa.2010.04.042
46.          Amir Abbas Rafati, Sayed Majid Hashemianzadeh, Zabiollah Bolboli Nojini, Negin Naghshineh: Canonical Monte Carlo Simulation of Adsorption of O-2 and N-2 Mixture on Single Walled Carbon Nanotube at Different Temperatures and Pressures. Journal of Computational Chemistry 05/2010; 31(7):1443-9., DOI:10.1002/jcc.21428
47.          Niaz Poorgholami-Bejarpasi, Majid Hashemianzadeh, S Morteza Mousavi-Khoshdel, Beheshteh Sohrabi: Investigation of the mixing behavior of surfactants by lattice Monte Carlo simulation. Journal of Molecular Modeling 02/2010; 16(9):1499-508., DOI:10.1007/s00894-010-0657-0
48.          H. H. Haeri, S. M.  Hashemianzadeh, M.  Monajjemi: Temperature effects on the stochastic gating of the IP3R calcium release channel: a numerical simulation study. Journal of Biological Systems 12/2009; 17(4):817-852., DOI:10.1142/S0218339009003058
49.          Amir Abbas Rafati, Seyed Majid Hashemianzadeh, Zabiollah Bolboli Nojini: Effect of the adsorption of oxygen on electronic structures and geometrical parameters of armchair single-wall carbon nanotubes: A density functional study. Journal of Colloid and Interface Science 04/2009; 336(1):1-12., DOI:10.1016/j.jcis.2009.03.021
50.          Negin Naghshineh, Majid Hashemianzadeh: First-principles study of hydrogen storage on Si atoms decorated C60. International Journal of Hydrogen Energy 03/2009; 34(5-34):2319-2324., DOI:10.1016/j.ijhydene.2008.12.064
51.          Beheshteh Sohrabi, Hussein Gharibi, Behnoosh Tajik, Soheila Javadian, Majid Hashemianzadeh: Molecular Interactions of Cationic and Anionic Surfactants in Mixed Monolayers and Aggregates. The Journal of Physical Chemistry B 11/2008; 112(47):14869-76., DOI:10.1021/jp803105n
52.          Seyed M. Hashemianzadeh, Amir A. Rafati, Zabiholah B. Nojini: Quantum chemical study of the host-guest inclusion complexes of the local anaesthetic drugs, procaine hydrochloride and butacaine hydrochloride, with α- and β-cyclodextrins. Monatshefte fuer Chemie/Chemical Monthly 07/2008; 139(7):763-771., DOI:10.1007/s00706-007-0822-z
53.          Mohammad Ali Safarpour, Seyed Majid Hashemianzadeh, Azam Kasaeian: The theoretical investigation of one of the derivatives of 1, 2-dithienylcyclopentene as a molecular switch. Journal of Molecular Modeling 05/2008; 14(4):315-23., DOI:10.1007/s00894-008-0272-5
54.          A. Abbas Rafati, S. Majid Hashemianzadeh, Z. Bolboli Nojini: Electronic Properties of Adsorption Nitrogen Monoxide on Inside and Outside of the Armchair Single Wall Carbon Nanotubes: A Density Functional Theory Calculations. The Journal of Physical Chemistry C 02/2008; 112(10)., DOI:10.1021/jp709955g
55.          S.M. Hashemianzadeh, H. Gharibi, S.M. Mousavi-Khoshdel, B. Sohrabi, M. A. Safarpoor: Lattice Monte Carlo simulation of dilute ionic surfactants. Journal of Molecular Liquids 02/2008; 138(1):147-154., DOI:10.1016/j.molliq.2007.07.007
56.          S.M. Hashemianzadeh, Mohammad Ali Safarpour, Kiana Gholamjani-Moghaddam, Ahmad Reza Mehdipour: DFT-based QSAR study of valproic acid and its derivatives. QSAR & Combinatorial Science 10/2007; 27(4):469 - 474., DOI:10.1002/qsar.200710093
57.          Beheshteh Sohrabi, Hussein Gharibi, Soheila Javadian, Majid Hashemianzadeh: A New Model to Study the Phase Transition from Microstructures to Nanostructures in Ionic/Ionic Surfactants Mixture. The Journal of Physical Chemistry B 09/2007; 111(34):10069-78., DOI:10.1021/jp073284j
58.          A.A. Rafati, S. M. Hashemianzadeh, Z. B. Nojini, M.A. Safarpour: Theoretical study of the inclusion complexes of ± and ²-cyclodextrins with decyltrimethylammonium bromide (DTAB) and tetradecyltrimethylammonium bromide (TTAB). Journal of Molecular Liquids 07/2007; 135(1-3):153-157., DOI:10.1016/j.molliq.2006.11.006
59.          H.H. Haeri, S.M. Hashemianzadeh, M Monajjemi: A kinetic Monte Carlo simulation study of inositol 1,4,5-trisphosphate receptor (IP3R) calcium release channel. Computational Biology and Chemistry 04/2007; 31(2):99-109., DOI:10.1016/j.compbiolchem.2007.02.009
60.          Seyed Majid Hashemianzadeh, Shirin Faraji, Amir Hossein Amin, Sepideh Ketabi: Theoretical Study of the Interactions between Isolated DNA Bases and Various Groups IA and IIA Metal Ions by Ab Initio Calculations. Monatshefte fuer Chemie/Chemical Monthly 02/2007; 139(2):89-100., DOI:10.1007/s00706-007-0744-9
61.          Hussein Gharibi, Reza Behjatmanesh-Ardakani, Majid Hashemianzadeh, Morteza Mousavi-Khoshdel: Complexation between a Macromolecule and an Amphiphile by Monte Carlo Technique. The Journal of Physical Chemistry B 08/2006; 110(27):13547-53., DOI:10.1021/jp061622v
62.          Hussein Gharibi, Reza Behjatmanesh-Ardakani, Seyed Majid Hashemianzadeh, Beheshteh Sohrabi, Soheila Javadian: Further Study on the Micellization of a Symmetric Amphiphile Using the Monte Carlo Technique. Bulletin of the Chemical Society of Japan 01/2006; 79(9):1355-1361., DOI:10.1246/bcsj.79.1355
63.          H. Gharibi, R. Behjatmanesh-Ardakani, S. M. Hashemianzadeh, S. M. Mousavi-Khoshdel, S. Javadian, B. Sohrabi: Study of thermodynamic parameters in amphiphilic systems by lattice Monte Carlo: Effect of tails and heads. Theoretical Chemistry Accounts 01/2006; 115(1):1-17., DOI:10.1007/s00214-005-0014-z
64.          Hussein Gharibi, B. Sohrabi, S. Javadian, M. Hashemianzadeh: Study of the electrostatic and steric contributions to the free energy of ionic/nonionic mixed micellization. Colloids and Surfaces A Physicochemical and Engineering Aspects 09/2004; 244(1):187-196., DOI:10.1016/j.colsurfa.2004.06.007
65.          H. Gharibi, S. Javadian, M. Hashemianzadeh: Investigation of interaction of cationic surfactant with HSA in the presence of alcohols using PFG-NMR and potentiometric technique. Colloids and Surfaces A Physicochemical and Engineering Aspects 01/2004; 232(1-232):77-86., DOI:10.1016/j.colsurfa.2003.05.001
66.          H Gharibi, S.M Hashemianzadeh, B.M Razavizadeh: Determination of interaction parameters of mixed surfactant system using a Monte Carlo simulation technique. Colloids and Surfaces A Physicochemical and Engineering Aspects 01/2002; 196(1-196):31-38., DOI:10.1016/S0927-7757(01)00077-2
 
 
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