| Rhenium complexes of di-2-pyridyl ketone, 2-benzoylpyridine and 2-hydroxybenzophenone: A structural and theoretical study NC Yumata, G Habarurema, J Mukiza, TIA Gerber, E Hosten, ... Polyhedron 62, 89-103, 2013 | 56 | 2013 |
| Electronic and Structural Properties of Neutral, Anionic, and Cationic Rh x Cu4−x (x = 0–4) Small Clusters: A DFT Study A Arab, F Gobal, N Nahali, M Nahali Journal of Cluster Science 24, 273-287, 2013 | 29 | 2013 |
| A comparative DFT study of atomic and molecular oxygen adsorption on neutral and negatively charged PdxCu3− x (x= 0–3) nano-clusters F Gobal, R Arab, M Nahali Journal of Molecular Structure: THEOCHEM 959 (1-3), 15-21, 2010 | 26 | 2010 |
| DFT study of nitrogen monoxide adsorption and dissociation on RhCu nano clusters A Arab, M Nahali, F Gobal Journal of Alloys and Compounds 695, 1924-1929, 2017 | 10 | 2017 |
| Adsorption of carbon monoxide on Si x Ge4–x (x= 0–4) nano-clusters: a hybrid meta density functional study M Nahali, F Gobal Molecular Physics 108 (10), 1317-1327, 2010 | 10 | 2010 |
| Trans, trans, trans-[ReO2I2 (PPh3) 2], a rare rhenium (VI) complex—Synthesis and DFT study J Mukiza, TIA Gerber, E Hosten, AS Ogunlaja, F Taherkhani, M Amini, ... Inorganic Chemistry Communications 51, 83-86, 2015 | 8 | 2015 |
| A (μ-O)(μ-Br) ReIV2 metal–metal triple bond complex with a bridging tridentate ligand: Synthesis, structure and DFT study J Mukiza, TIA Gerber, E Hosten, F Taherkhani, M Nahali Inorganic Chemistry Communications 49, 5-7, 2014 | 7 | 2014 |
| Theoretical study of nitrogen monoxide adsorption on small Si x (x= 3–5) clusters M Nahali, F Gobal Molecular Physics 109 (2), 229-237, 2011 | 5 | 2011 |
| A DFT study of carbon monoxide adsorption on a Si4 nano-cluster M Nahali, F Gobal Molecular Physics 107 (17), 1805-1810, 2009 | 5 | 2009 |
| Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from molecular dynamics simulation EK Goharshadi, M Abbaspour, MN Jorabchi, M Nahali Chemical Physics 358 (3), 185-195, 2009 | 4 | 2009 |
| Investigation of a new mean temperature-dependent potential energy function for methane and its use for the prediction of transport properties M Nahaly, GA Parsafar, EK Goharshadi Molecular Physics 105 (10), 1453-1463, 2007 | 3 | 2007 |
| First principles study of oxygen adsorption on nickel-doped graphite M Nahali, F Gobal Molecular Physics 110 (13), 1437-1445, 2012 | 2 | 2012 |
| Adsorption and dissociation of hydrogen peroxide on small Pd x M3− x (M= Pt, Cu; x= 1− 3) clusters: a hybrid density functional study M Nahali, F Gobal, R Arab Molecular Physics 109 (14), 1797-1804, 2011 | 2 | 2011 |
| Determination of potential energy function and transport properties of sulphur hexafluoride EK Goharshadi, M Nahali, M Baherololoom NISCAIR-CSIR, India, 2005 | 2 | 2005 |
| Magnetic behavior of Si-Ge bond in SixGe4-x nano-clusters M Nahali, A Mehri Physica C: Superconductivity and its Applications 549, 58-60, 2018 | | 2018 |
| journal homepage: www. elsevier. com/locate/theochem R Arab, MK Awad, M Banerjee, LJ Cao, ACM Carvalho, HS Chen, ... Journal of Molecular Structure: THEOCHEM 959, 117, 2010 | | 2010 |
Ali ArabAssociate Professor of Physical Chemistry, Semnan UniversityVerified email at semnan.ac.ir
