| An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline … M Mirzaei, NL Hadipour The Journal of Physical Chemistry A 110 (14), 4833-4838, 2006 | 98 | 2006 |
| Application of pristine and Ni-decorated B12P12 nano-clusters as superior media for acetylene and ethylene adsorption: DFT calculations AS Rad, SM Aghaei, V Poralijan, M Peyravi, M Mirzaei Computational and Theoretical Chemistry 1109, 1-9, 2017 | 75 | 2017 |
| Interactions of fluorouracil by CNT and BNNT: DFT analyses R Faramarzi, M Falahati, M Mirzaei Advanced Journal of Science and Engineering 1 (2), 62-66, 2020 | 70 | 2020 |
| Beryllium oxide (BeO) nanotube provides excellent surface towards adenine adsorption: a dispersion-corrected DFT study in gas and water phases M Sherafati, AS Rad, M Ardjmand, A Heydarinasab, M Peyravi, M Mirzaei Current Applied Physics 18 (9), 1059-1065, 2018 | 66 | 2018 |
| DFT explorations of quadrupole coupling constants for planar 5-fluorouracil pairs M Mirzaei, O Gülseren, N Hadipour Computational and Theoretical Chemistry 1090, 67-73, 2016 | 63 | 2016 |
| DFT studies of 5-fluorouracil tautomers on a silicon graphene nanosheet A Yaraghi, OM Ozkendir, M Mirzaei Superlattices and Microstructures 85, 784-788, 2015 | 63 | 2015 |
| Tautomerism, solvatochromism, preferential solvation, and density functional study of some heteroarylazo dyes AG Gilani, V Taghvaei, EM Rufchahi, M Mirzaei Journal of Molecular Liquids 273, 392-407, 2019 | 60 | 2019 |
| Covalent hybridization of CNT by thymine and uracil: A computational study M Mirzaei, HR Kalhor, NL Hadipour Journal of Molecular Modeling 17, 695-699, 2011 | 59 | 2011 |
| Computational studies on boron nitride and boron phosphide nanotubes: density functional calculations of boron-11 electric field gradient tensors M Mirzaei, M Giahi Physica E: Low-dimensional Systems and Nanostructures 42 (5), 1667-1669, 2010 | 59 | 2010 |
| The C-doped zigzag AlN nanotube: A computational NMR study M Mirzaei, A Seif, NL Hadipour Chemical Physics Letters 461 (4-6), 246-248, 2008 | 59 | 2008 |
| Relaxations of fluorouracil tautomers by decorations of fullerene-like SiCs: DFT studies A Kouchaki, O Gülseren, N Hadipour, M Mirzaei Physics Letters A 380 (25-26), 2160-2166, 2016 | 58 | 2016 |
| Science and engineering in silico M Mirzaei Advanced Journal of Science and Engineering 1 (1), 1-2, 2020 | 56 | 2020 |
| The C-doped AlP nanotubes: A computational study M Mirzaei, M Mirzaei Solid State Sciences 13 (1), 244-250, 2011 | 54 | 2011 |
| Computational studies of the purine-functionalized graphene sheets M Mirzaei, M Yousefi Superlattices and Microstructures 52 (4), 612-617, 2012 | 53 | 2012 |
| Nickel-decorated B12P12 nanoclusters as a strong adsorbent for SO2 adsorption: Quantum chemical calculations AS Rad, A Mirabi, M Peyravi, M Mirzaei Canadian Journal of Physics 95 (10), 958-962, 2017 | 52 | 2017 |
| Density functional theory study of boron nitride nanotubes: calculations of the N-14 and B-11 nuclear quadrupole resonance parameters Z Bagheri, M Mirzaei, NL Hadipour, MR Abolhassani Journal of Computational and Theoretical Nanoscience 5 (4), 614-618, 2008 | 52 | 2008 |
| The Al-doped BN nanotubes: a DFT study M Mirzaei, A Nouri Journal of Molecular Structure: THEOCHEM 942 (1-3), 83-87, 2010 | 51 | 2010 |
| The carbon-doped (4, 4) boron nitride nanotube: A computational NMR approach M Mirzaei Physica E: Low-dimensional Systems and Nanostructures 41 (5), 883-885, 2009 | 51 | 2009 |
| Density functional calculations of oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors to study hydrogen bonding properties of peptide group … Z Samadi, M Mirzaei, NL Hadipour, SA Khorami Journal of Molecular Graphics and Modelling 26 (6), 977-981, 2008 | 51 | 2008 |
| A new sesquiterpenoid from the shoots of Iranian Daphne mucronata Royle with selective inhibition of STAT3 and Smad3/4 cancer-related signaling pathways M Ghanadian, Z Ali, IA Khan, P Balachandran, M Nikahd, M Aghaei, ... DARU Journal of Pharmaceutical Sciences 28, 253-262, 2020 | 50 | 2020 |
