| 1 | Quantum chemistry of h2O2 dissociation | Masoud Nahali | 18th Internationl workshop on computational physics and material science total energy and force methods | 2017 | Article In Conference |
| 2 | DFT study of nitrogen monoxide adsorption and dissociation on RhCu nano clusters | A. Arab, Masoud Nahali, F. Gobal | JOURNAL OF ALLOYS AND COMPOUNDS | 2017 | Article In Publication |
| 3 | Trans trans trans- ReO2I2(PPh3)2 a rare rhenium(VI) complex Synthesis and DFT study | J. Mukiza, T.I.A. Gerber, E. Hosten, A.S. Ogunlaja, F. Taherkhani, M. Amini, Masoud Nahali | INORGANIC CHEMISTRY COMMUNICATIONS | 2015 | Article In Publication |
| 4 | A ( -O)( -Br)ReIV2 metal metal triple bond complex with a bridging tridentate ligand Synthesis structure and DFT study | J. Mukiza, T.I.A. Gerber, E. Hosten, F. Taherkhani, Masoud Nahali | INORGANIC CHEMISTRY COMMUNICATIONS | 2014 | Article In Publication |
| 5 | Rhenium complexes of di-2-pyridyl ketone 2-benzoylpyridine and 2-hydroxybenzophenone A structural and theoretical study | N.C. Yumata, G. Habarurema, J. Mukiza, T.I.A. Gerber, E. Hosten, F. Taherkhani, Masoud Nahali | POLYHEDRON | 2013 | Article In Publication |
| 6 | 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, Masoud Nahali | JOURNAL OF CLUSTER SCIENCE | 2013 | Article In Publication |
| 7 | First principles study of oxygen adsorption on nickel-doped graphite | Masoud Nahali, Fereydoon Gobal | MOLECULAR PHYSICS | 2012 | Article In Publication |
| 8 | Adsorption and dissociation of hydrogen peroxide on small Pd x M3x (M Pt Cu x 13) clusters a hybrid density functional study | Masoud Nahali, Fereydoon Gobal, Ramezan Arab | MOLECULAR PHYSICS | 2011 | Article In Publication |
| 9 | Theoretical study of nitrogen monoxide adsorption on small Si x ( x 3 5) clusters | Masoud Nahali, F. Gobal | MOLECULAR PHYSICS | 2011 | Article In Publication |
| 10 | 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, Masoud Nahali | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2010 | Article In Publication |
| 11 | Adsorption of carbon monoxide on Si x Ge 4 x ( x 0 4) nano-clusters a hybrid meta density functional study | Masoud Nahali, F. Gobal | MOLECULAR PHYSICS | 2010 | Article In Publication |
| 12 | A DFT study of carbon monoxide adsorption on a Si4 nano-cluster | Masoud Nahali, Fereydoon Gobal | MOLECULAR PHYSICS | 2009 | Article In Publication |
| 13 | Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from molecular dynamics simulation | Elaheh K. Goharshadi, Mohsen Abbaspour, Majid Namayandeh Jorabchi, Masoud Nahali | CHEMICAL PHYSICS | 2009 | Article In Publication |
| 14 | Investigation of a new mean temperature-dependent potential energy function for methane and its use for the prediction of transport properties | Masoud Nahali, G. A. Parsafar, E. K. Goharshadi | MOLECULAR PHYSICS | 2007 | Article In Publication |
