I did MPhil in chemistry with research in synthesis, characterization and modelling. My research courses, under the directions of Professor Dr Muhammad Ilyas Tariq, have focused on the impact of different solvent systems on the properties of molecules. In project named “Synthesis and Characterization of Novel Benzylidines” Molecular Dynamics (MD) simulations were used to provide information of the benzylidine dynamics in water and the structural and dynamical properties of water molecules in the metal-complex forming site of the benzylidines. Solvent molecules are easily followed and characterized in terms of localization and dynamics in simulation studies. The obtained knowledge can be used in the future for example with nano-engineering and structure-based drug design. I have also developed a relationship among different levels of theories at the same basis set. I have enjoyed being part of a research team in this exciting area of synthesis and modelling with following publications:
1. M. I. Tariq, S. Ahmad, M. N. Tahir, M. Sarfaraz and I. Hussain, Acta Cryst., 2010, E66, 1561
2. M. N. Tahir, M. I. Tariq, S. Ahmad, M. Sarfraz and A. Q. Ather, Acta Cryst., 2010, E66, 1562
3. M. N. Tahir, M. I. Tariq, S. Ahmad, M. Sarfraz and A. Q. Ather, Acta Cryst., 2010, E66, 1817
4. M. Mufakkar, M. N. Tahir, M. I. Tariq, S. Ahmad and M. Sarfraz, Acta Cryst., 2010, E66, 1887
5. A. Hussain, M. N. Tahir, M. I. Tariq, S. Ahmad and A. M. Asiri, Acta Cryst., 2010, E66, 1953
6. H. A. Shad, M. N.