| Synthesis and potential applications of some thiazoles as corrosion inhibitor of copper in 1 M HCl: Experimental and theoretical studies R Farahati, A Ghaffarinejad, SM Mousavi-Khoshdel, J Rezania, ... Progress in Organic Coatings 132, 417-428, 2019 | 132 | 2019 |
| Experimental and computational study of penicillamine drug and cysteine as water-soluble green corrosion inhibitors of mild steel R Farahati, SM Mousavi-Khoshdel, A Ghaffarinejad, H Behzadi Progress in Organic Coatings 142, 105567, 2020 | 91 | 2020 |
| DNA methylation detection by a novel fluorimetric nanobiosensor for early cancer diagnosis M Dadmehr, M Hosseini, S Hosseinkhani, MR Ganjali, M Khoobi, ... Biosensors and Bioelectronics 60, 35-44, 2014 | 77 | 2014 |
| Fullerenes toxicity and electronic properties M Sergio, H Behzadi, A Otto, D van der Spoel Environmental chemistry letters 11, 105-118, 2013 | 65 | 2013 |
| Theoretical study of N–H··· O hydrogen bonding properties and cooperativity effects in linear acetamide clusters MD Esrafili, H Behzadi, NL Hadipour Theoretical Chemistry Accounts 121 (3), 135-146, 2008 | 56 | 2008 |
| Intriguing properties of unusual silicon nanocrystals S Manzetti, T Lu, H Behzadi, MD Estrafili, HLT Le, H Vach RSC advances 5 (95), 78192-78208, 2015 | 52 | 2015 |
| A DFT study on carbon-doping at different sites of (8, 0) boron nitride nanotube MD Esrafili, H Behzadi Structural Chemistry 24, 573-581, 2013 | 50 | 2013 |
| A density functional study of 17O, 14N and 2H electric field gradient tensors in the real crystalline structure of α-glycine H Behzadi, NL Hadipour, M Mirzaei Biophysical chemistry 125 (1), 179-183, 2007 | 47 | 2007 |
| A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energies MD Esrafili, H Behzadi Journal of molecular modeling 19, 2375-2382, 2013 | 46 | 2013 |
| A theoretical study of 17O, 14N and 2H nuclear quadrupole coupling tensors in the real crystalline structure of acetaminophen H Behzadi, MD Esrafili, NL Hadipour Chemical physics 333 (2-3), 97-104, 2007 | 43 | 2007 |
| DFT study of aqueous-phase adsorption of cysteine and penicillamine on Fe (110): Role of bond-breaking upon adsorption A Kokalj, H Behzadi, R Farahati Applied Surface Science 514, 145896, 2020 | 42 | 2020 |
| Evaluation of corrosion inhibition of 4-(pyridin-3-yl) thiazol-2-amine for copper in HCl by experimental and theoretical studies R Farahati, H Behzadi, SM Mousavi-Khoshdel, A Ghaffarinejad Journal of Molecular Structure 1205, 127658, 2020 | 42 | 2020 |
| Influence of N–H… O and O–H… O hydrogen bonds on the 17O, 15N and 13C chemical shielding tensors in crystalline acetaminophen: a density functional theory study MD Esrafili, H Behzadi, NL Hadipour Biophysical chemistry 128 (1), 38-45, 2007 | 41 | 2007 |
| A DFT study of pyrazine derivatives and their Fe complexes in corrosion inhibition process H Behzadi, P Roonasi, MJ Momeni, S Manzetti, MD Esrafili, IB Obot, ... Journal of Molecular Structure 1086, 64-72, 2015 | 40 | 2015 |
| A computational study of water adsorption on boron nitride nanotube J Beheshtian, H Behzadi, MD Esrafili, BB Shirvani, NL Hadipour Structural Chemistry 21, 903-908, 2010 | 39 | 2010 |
| Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: Sulfamerazine and sulfathiazole MD Esrafili, H Behzadi, J Beheshtian, NL Hadipour Journal of Molecular Graphics and Modelling 27 (3), 326-331, 2008 | 36 | 2008 |
| 14N and 17O electric field gradient tensors in benzamide clusters: theoretical evidence for cooperative and electronic delocalization effects in N–H⋯ O hydrogen bonding MD Esrafili, H Behzadi, NL Hadipour Chemical Physics 348 (1-3), 175-180, 2008 | 36 | 2008 |
| Density functional theory study of N–H⋯ O, O–H⋯ O and C–H⋯ O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of N-acetyl-valine MD Esrafili, H Behzadi, NL Hadipour Biophysical chemistry 133 (1-3), 11-18, 2008 | 36 | 2008 |
| Sulfonated aromatic polyamide as water-soluble polymeric corrosion inhibitor of copper in HCl R Farahati, A Ghaffarinejad, HJ Rezania, SM Mousavi-Khoshdel, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 578, 123626, 2019 | 34 | 2019 |
| Relationship between electronic properties and drug activity of seven quinoxaline compounds: A DFT study H Behzadi, P Roonasi, D van der Spoel, S Manzetti Journal of Molecular Structure 1091, 196-202, 2015 | 28 | 2015 |
Mehdi D. EsrafiliFull Professor of Theoretical/Computational Chemistry, University of MaraghehVerified email at maragheh.ac.ir
