| Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri-and tetrafluorothiophenes as monomers for new conducting polymers S Jameh-Bozorghi, HSIL Beigi Journal of Fluorine Chemistry 132 (3), 190-195, 2011 | 14 | 2011 |
| Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri-and tetrachlorothiophenes as well as corresponding radical cation … H Shirani IL Beigi, S Jameh-Bozorghi Chemistry Central Journal 5, 1-8, 2011 | 9 | 2011 |
| Density functional theory study on the structural, reactivity, and electronic properties of all mono-, di-, tri-, tetra-, and penta-fluoroanilines as monomers for conducting … H Shirani Il Beigi Canadian Journal of Chemistry 90 (11), 902-914, 2012 | 8 | 2012 |
| Computational study of the [(CO) 2 (benzoate) MII/III (terephthalate)] 0/1+ complexes with M= V, Cr, Mn, Fe and Co H Shirani, H Sabzyan Computational and Theoretical Chemistry 1155, 9-19, 2019 | 4 | 2019 |
| Computational Spectroscopic Characterization of a Bistable Binuclear Complex [(CO)2(benzoate)FeII/III(terephthalate)CoIII/II(benzoate)(CO)2]+ H Shirani, H Sabzyan Australian Journal of Chemistry, 348–359, 2018 | 3 | 2018 |
| Ab initio study of dehalohydrogenation reaction of 2-halo-2,3-dihydrophosphinine H Shirani Il Beigi, M Nikbakht, P Ghanbar pour Journal of Structural Chemistry 55, 217-222, 2014 | 3 | 2014 |
| Bistability of an Iron-Cobalt Binuclear Complex H Sabzyan, H Shirani International Journal of Quantum Chemistry, e25856, 2018 | 2 | 2018 |
| DFT studies of all fluorothiophenes and their cations as candidate monomers for conductive polymers H Shirani, S Jameh-Bozorghi, A Yousefi AIP Conference Proceedings 1642 (1), 264-268, 2015 | 2 | 2015 |
| Quantum-level machine learning calculations of Levodopa H Shirani, SM Hashemianzadeh Computational Biology and Chemistry 112, 108146, 2024 | 1 | 2024 |
| Computational study of [(phenanthroline)2FeII/III–(terephthalate)–CoIII/II(phenanthroline)2]3+ binuclear complex H Shirani, H Sabzyan Structural Chemistry, 2019 | 1 | 2019 |
| DFT study on a fullerene doped with Si and N HSIL Beigi Russian Journal of Physical Chemistry A 87, 1537-1541, 2013 | 1 | 2013 |
| DFT Study of β-Elimination Mechanisms of Tricholoro [choloro (methyl) germyl] Silane BS Jameh, A Bodaghi, H Shirani, J Hosseini, H Soleymanabadi Research Journal of Chemistry and …, 2011 | 1 | 2011 |
| Ab Initio and DFT Studies, NBO and NICS Analysis of Dehalohydogenation Reaction of 3-halo-2, 3 A Yousefi, S Jameh-Bozorghi, H Shiraniº Research Journal of Chemistry and Environment 15, 2, 2011 | 1 | 2011 |
| DFT studies of all fluorothiophenes and their radical cations as candidate monomers for conductive polymers H Shirani, BS JAMEH JOURNAL OF THE IRANIAN CHEMICAL RESEARCH 3 (1), 17-30, 2010 | 1 | 2010 |
| Machine Learning to Predict Potential Energy Surface of Resveratrol Drug: A Quantum-Level Calculation H Shirani, SM Hashemianzadeh ACS Medicinal Chemistry Letters 15 (11), 1979-1986, 2024 | | 2024 |
| Quantum Mechanics Computations on Berotralstat Drug H Shirani, H Enayat 22nd Iranian Chemistry Congress (ICC22), Iranian Research Organization for …, 2024 | | 2024 |
| DFT study of structural, vibrational and electronic properties of Triheptanoin drug H Shirani, SH Pashaei 22nd Iranian Chemistry Congress (ICC22), Iranian Research Organization for …, 2024 | | 2024 |
| Quantum-mechanics DFT Computations of the Elacestrant Drug H Shirani, SH Pashaei 22nd Iranian Chemistry Congress (ICC22), Iranian Research Organization for …, 2024 | | 2024 |
| Quantum Mechanical Calculations of Doxepin H Shirani, P Keshavarz 22nd Iranian Chemistry Congress (ICC22), Iranian Research Organization for …, 2024 | | 2024 |
| Quantum mechanical calculations on Tolterodine drug H Shirani, P Vaezi 22nd Iranian Chemistry Congress (ICC22), Iranian Research Organization for …, 2024 | | 2024 |
Hassan SabzyanUniversity of IsfahanVerified email at sci.ui.ac.ir