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Address: Iran University of Science and Technology

,Narmak,Tehran 16846_13114,Iran

Tel: +98(21) 77240516-7

Fax: +98(21) 77491204

Office Email:

chemistry AT iust.ac.ir

:: Research of Dr.safarpour : Publications ::

  2009: M. A. Safarpour, S. Bagheri Navir, M. Jamali, A. R. Mehdipour, “ Semiempirical, Ab Initio and Density Functional Studies on Structural and Electronic Properties of Trans- and Cis-cAMPB(H2O) ” Journal of Molecular Structure: THEOCHEM xxx (2009) xx–xx


  2009: A.R. Mehdipour, M. A. Safarpour, F. Taghavi, and M. Jamali, “Density Functional Theory-based Quantitative Structure Activity Relationship (QSAR) Study of Alkanol and Alkanthiol Derivatives” QSAR Comb. Sci. xx (2009) xx –xx


  2008: M. A. Safarpour, S. M. Hashemianzadeh and A. Kasaeian, “The theoretical investigation of one of the derivatives of 1,2-dithienylcyclopentene as a molecular switch” J. Mol. Model. 14 (2008) 315-323


  2008: 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 138 (2008) 147–154


  2008: M. Hashemianzadeha, M. A. Safarpoura, K. Gholamjani-Moghaddama and A. R. Mehdipour, “DFT-Based QSAR Study of Valproic Acid and its Derivatives” QSAR Comb. Sci. 27, 4 (2008) 469 – 474


  2008: S. Javadian, H. Gharibi, B. Sohrabi, H. Bijanzadeh, M.A. Safarpour, R. Behjatmanesh-Ardakani, “Determination of the physico-chemical parameters and aggregation number of surfactant in micelles in binary alcohol–water mixtures” Journal of Molecular Liquids 137 (2008) 74–79


  2007: A.A. Rafati, S.M. Hashemianzadeh, M. Bolboli, M.A. Safarpour, “Theoretical study of the inclusion complexes of α and β-cyclodextrins with decyltrimethylammonium bromide (DTAB) and tetradecyltrimethylammonium bromide (TTAB)” Journal of Molecular Liquids 135 (2007) 153–157


  2006: B. Hemmateenejad, R. Miri, M. A. Safrpour, A. R. Mehdipour , "Accurate Prediction of the Blood–Brain Partitioning of a Large Set of Solutes Using Ab Initio Calculations and Genetic Neural Network Modeling" J. Comp. Chem. 27, 11 (2006) 1125-1135


  2006: A.A. Rafati, M.A. Safarpour, "Physico-Chemical and Thermodynamic Studies Associated with Micellization of Sodium Dodecyl Sulfate in n-Alkanol/Water Mixtures" Asian Journal of Chemistry, 18, 1 (2006) 165-175


  2005: B. Hemmateenejad, M.A. Safarpour, R. Miri, Nasim Nesari “Toward an optimal procedure for PC-ANN model building: Prediction of carcinogenic activity of a large set of drugs” J. Chem. Inf. Model. 45, (2005) 190-199


  2005: B. Hemmateenejad, R. Miri, M.A. Safarpour, M. Khoshneviszadeh, N. Edraki, “Conformational analysis of some new derivatives of 4-nitroimidazolyl-1,4-dihydropyridine-based calcium channel blockers” Journal of Molecular Structure: THEOCHEM 717 (2005) 139–152


  2005: B. Hemmateenejad, M.A. Safarpour, A. Mohammad Mehranpour, “Net analyte signal-artificial network (NAS_ANN) model for efficient nonlinear multivariate calibration” Analytica Chimica Acta 535 (2005) 275-285



  2004: B. Hemmateenejad, M.A. Safarpour, R. Miri, F. Taghavi; “Application of ab-initio Theory to QSAR Study of 1,4-Dihydropyridine-Based Calcium Channel Blockers Using GA-MLR and PC-GA-ANN procedures” J. Comput. Chem. 25 (2004) 1495-1503


  2003: B. Hemmateenejad, M.A. Safarpour, F. Taghavi; “ Application of ab initio theory for the prediction of acidity constant of 1-hydroxy-9,10-anthraquinone derivatives using Neural network modeling method.” J. Mol. Struct. (Theochem) 635 (2003) 183-190


  2003: M.A. Safarpour, B. Hemmateenejad, R. Miri, M. Jamali; “Quantum chemical-QSAR study of some newly synthesized 1,4–DihydroPyridine Calcium channel blockers” QSAR Comb. Sci. 22 (2003) 997-1005


  2004: A. A. Rafati, A. Bordbar, H. Gharibi, M. Amini, and M. A. Safarpour, The interaction of a homologous series of cationic surfactants with bovine serum albumin (BSA) using surfactant membrane selective electrodes. Bull. Chem. Soc. Jpn., 77, 6 (2004) 1-7


  2000: A.Maghari, M.A.Safarpour, “Third Virial Coefficient and Compressibility Factors for dense Spherical gases Using the HFD_C Potential” Iranian International journal of Science, 1, 1 (2000) 15 (this paper is regarding my M.Sc. thesis).


  1999: H. Gharibi, M.A. Safarpour, A.A. Rafati; “New Approach for Determination of Macroscopic Binding Constants of Ligands to Macromolecules”. J. Colloid and Interface science, 219, 2 (1999) 217-224 (1999).


  1999: M.A.Safarpour , A.A.Rafati, M. Rezaie Sameti “Influence of Short-Chain Alcohols on the Micellization Parameters of Sodium Dodecyl Sulfate(SDS)” J. Chin. Chem. Soc., Vol.46, No.6, (1999).


  1998: H. Garibi, A.A. Rafati, A. Feizollahi, B.M. Razavizadeh, M.A. Safarpour; “Thermodynamic Studies of Interaction Between Cationic Surfactants and PolyvinylPyrrolidone Using Potentiometric Techniques”. Colloids and Surfaces A: Physicochemical and Engineering Aspects 145 (1998) 47-60

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تهران - میدان رسالت- خیابان هنگام - خیابان دانشگاه علم و صنعت - دانشگاه علم و صنعت ایران - دانشکده شیمی - کدپستی 1674613114
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