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Research

Professor Jamshed Anwar

Professor, Chair in Computational Chemistry & Head of Chemical Theory and Computation Research Group

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  1. Journal article
  2. Published

    Asymmetric crystal growth of alpha-resorcinol from the vapor phase: surface reconstruction and conformational change are the culprits

    Anwar, J., Chatchawalsaisin, J. & Kendrick, J., 2007, In: Angewandte Chemie International Edition. 46, 29, p. 5537-5540 4 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  3. Published

    Molecular basis for dimethylsulfoxide (DMSO) action on lipid membranes

    Notman, R., Noro, M., O'Malley, B. & Anwar, J., 1/11/2006, In: Journal of the American Chemical Society. 128, 43, p. 13982-13983 2 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  4. Published

    Robust and accurate method for free-energy calculation of charged molecular systems

    Anwar, J. & Heyes, DM., 8/06/2005, In: Journal of Chemical Physics. 122, 22, 7 p., ARTN 224117.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  5. Published

    An approach to developing a force field for molecular simulation of martensitic phase transitions between phases with subtle differences in energy and structure

    Tuble, SC., Anwar, J. & Gale, JD., 14/01/2004, In: Journal of the American Chemical Society. 126, 1, p. 396-405 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  6. Published

    Molecular dynamics simulations of granular compaction

    Sanchez-Castillo, FX., Anwar, J. & Heyes, DM., 9/09/2003, In: Chemistry of Materials. 15, 18, p. 3417-3430 14 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  7. Published

    Molecular dynamics simulations of granular compaction: The single granule case

    Sanchez-Castillo, FX., Anwar, J. & Heyes, DM., 8/03/2003, In: Journal of Chemical Physics. 118, 10, p. 4636-4648 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  8. Published

    Calculation of the melting point of NaCl by molecular simulation

    Anwar, J., Frenkel, D. & Noro, MG., 8/01/2003, In: Journal of Chemical Physics. 118, 2, p. 728-735 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  9. Published

    The riddle of resorcinol crystal growth revisited: molecular dynamics simulations of alpha-resorcinol crystal-water interface

    Hussain, M. & Anwar, J., 22/09/1999, In: Journal of the American Chemical Society. 121, 37, p. 8583-8591 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  10. Published

    Ab initio structure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data

    Chan, FC., Anwar, J., Cernik, R., Barnes, P. & Wilson, RM., 1/06/1999, In: Journal of Applied Crystallography. 32, p. 436-441 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  11. Published

    Towards crystal engineering : probing crystallization processes by computer simulation

    Anwar, J., 12/1998, In: Journal of Pharmacy and Pharmacology. 50, 12, p. ii 1 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

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