| Phosphonate monoesters as carboxylate-like linkers for metal organic frameworks SS Iremonger, J Liang, R Vaidhyanathan, I Martens, GKH Shimizu, ... Journal of the American Chemical Society 133 (50), 20048-20051, 2011 | 100 | 2011 |
| Molecular dynamic simulation of dicationic ionic liquids: effects of anions and alkyl chain length on liquid structure and diffusion S Yeganegi, A Soltanabadi, D Farmanzadeh The Journal of Physical Chemistry B 116 (37), 11517-11526, 2012 | 90 | 2012 |
| An experimental and theoretical investigation of the regio-and stereoselectivity of the polar [3+ 2] cycloaddition of azomethine ylides to nitrostyrenes K Alimohammadi, Y Sarrafi, M Tajbakhsh, S Yeganegi, M Hamzehloueian Tetrahedron 67 (8), 1589-1597, 2011 | 84 | 2011 |
| Adsorption of 5-fluorouracil, hydroxyurea and mercaptopurine drugs on zeolitic imidazolate frameworks (ZIF-7, ZIF-8 and ZIF-9) M Gomar, S Yeganegi Microporous and Mesoporous Materials 252, 167-172, 2017 | 65 | 2017 |
| Molecular simulation study on the adsorption and separation of acidic gases in a model nanoporous carbon F Gholampour, S Yeganegi Chemical Engineering Science 117, 426-435, 2014 | 36 | 2014 |
| Experimental and theoretical approaches to [1, 5]-prototropic generation of an azomethine ylide and a 1, 3-dipolar cycloaddition for novel spiropyrrolidine oxindoles synthesis Y Sarrafi, M Hamzehloueian, K Alimohammadi, S Yeganegi Journal of molecular structure 1030, 168-176, 2012 | 35 | 2012 |
| Simulation of methane adsorption and diffusion in a carbon nanotube channel S Yeganegi, F Gholampour Chemical Engineering Science 140, 62-70, 2016 | 33 | 2016 |
| Ab initio interaction potential of methane and nitrogen M Shadman, S Yeganegi, F Ziaie Chemical Physics Letters 467 (4-6), 237-242, 2009 | 29 | 2009 |
| Study of thermodynamic properties of imidazolium-based ionic liquids and investigation of the alkyl chain length effect by molecular dynamics simulation S Yeganegi, V Sokhanvaran, A Soltanabadi Molecular Simulation 39 (13), 1070-1078, 2013 | 28 | 2013 |
| Hydrogen adsorption capacities of multi-walled boron nitride nanotubes and nanotube arrays: a grand canonical Monte Carlo study Z Ahadi, M Shadman, S Yeganegi, F Asgari Journal of molecular modeling 18, 2981-2991, 2012 | 28 | 2012 |
| DFT study of structures and hydrogen bonds of imidazolium based halogen-free boron containing dicationic ionic liquids S Alavi, Seyed Morteza Yeganegi Journal of Molecular Liquids 256 (2017), 330-343, 2018 | 22 | 2018 |
| Multiscale computational study on the adsorption and separation of CO2/CH4 and CO2/H2 on Li+‐doped mixed‐ligand metal–organic framework Zn2 (NDC) 2 (diPyNI) V Sokhanvaran, S Yeganegi ChemPhysChem 17 (24), 4124-4133, 2016 | 22 | 2016 |
| First-principles vdW-DF investigation on the interaction between the oxazepam molecule and C60 fullerene MD Ganji, M Nashtahosseini, S Yeganegi, M Rezvani Journal of molecular modeling 19, 1929-1936, 2013 | 20 | 2013 |
| H2S separation from biogas by adsorption on functionalized MIL-47-X (X=− OH and− OCH3): a simulation study V Sokhanvaran, M Gomar, S Yeganegi Applied Surface Science 479, 1006-1013, 2019 | 18 | 2019 |
| Adsorption of 5-Fluorouracil and Thioguanine drugs into ZIF-1, ZIF-3 and ZIF-6 by simulation methods M Gomar, S Yeganegi Materials Science and Engineering: C 97, 461-466, 2019 | 18 | 2019 |
| Methane adsorption and diffusion in a model nanoporous carbon: an atomistic simulation study S Yeganegi, F Gholampour Adsorption 19, 979-987, 2013 | 18 | 2013 |
| Non-equilibrium molecular dynamics calculation of thermal diffusion factor in binary mixtures of hard spheres S Yeganegi, M Zolfaghari Fluid phase equilibria 243 (1-2), 161-165, 2006 | 18 | 2006 |
| On the sensitivity of thermal diffusion to the intermolecular pair potential A Maghari, S Yeganegi Journal of the Physical Society of Japan 69 (5), 1389-1393, 2000 | 18 | 2000 |
| DFT Study of the Geometrical and Electronic Structures of Geminal Dicationic Ionic Liquids 1, 3‐Bis [3‐methylimidazolium‐1‐yl] hexane Halides D Farmanzadeh, A Soltanabadi, S Yeganegi Journal of the Chinese Chemical Society 60 (5), 551-558, 2013 | 16 | 2013 |
| Molecular simulations of adsorption and separation of acetylene and methane and their binary mixture on MOF-5, HKUST-1 and MOF-505 metal–organic frameworks S Yeganegi, M Gholami, V Sokhanvaran Molecular Simulation 43 (4), 260-266, 2017 | 14 | 2017 |
Muhammad ShadmanUniversity of ZanjanVerified email at znu.ac.ir
