All Stories

  1. Examining the compatibility of energetic plasticizer DNDA-5 with energetic binders

    Article • Journal of Macromolecular Science Part A, September 2019, Taylor & Francis

    Dr Shafee Khan

  2. Calculation of enthalpies of formation and band gaps of polymeric binders

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Dr Shafee Khan

  3. Can surface energy be a parameter to define morphological change of rock-salt crystals with additives? A first principles study

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Dr Shafee Khan

  4. Probing the simulant behavior of PNPDPP toward parathion and paraoxon: A computational study

    Article • Journal of Molecular Graphics and Modelling, April 2012, Elsevier

    Dr Shafee Khan

  5. Assessing the reactivation efficacy of hydroxylamine anion towards VX-inhibited AChE: a computational study

    Article • Journal of Molecular Modeling, August 2011, Springer Science + Business Media

    Dr Shafee Khan

  6. Can Nitrilotriacetic Acid (NTA) Act as a Habit Modifier for Rock Salt Crystals? An Answer from Computational and Experimental Studies

    Article • Crystal Growth & Design, March 2011, American Chemical Society (ACS)

    Dr Shafee Khan

  7. Probing the influence of pH dependent citric acid towards the morphology of rock salt: a computational study

    Article • CrystEngComm, January 2009, Royal Society of Chemistry

    Dr Shafee Khan