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Professor Jamshed Anwar

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

  1. Published

    Size-Dependent Phase Stability of a Molecular Nanocrystal: a Proxy for Investigating the Early Stages of Crystallization

    Zahn, D. & Anwar, J., 09/2011, In: Chemistry - A European Journal. 17, 40, p. 11186-11192 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  2. Published

    Collective displacements in a molecular crystal polymorphic transformation

    Zahn, D. & Anwar, J., 2013, In: RSC Advances. 31, p. 12810-12815 6 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  3. Published

    Contemporary systematics of vadose zone nitrate capture by speleothem carbonate

    Wynn, P. M., Ambler, S., Grefe, I., Soto, D. X., Surridge, B. W. J., Gabitov, R. I., Barker, P. A., Anwar, J., Quin, A., Pereira, M. G. & Grant, H. K., 20/06/2021, In: Chemical Geology. 571, 14 p., 120172.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  4. Published

    The effect of a penetration enhancer on lipid membrane - from computational prospective

    Wahab, HA., Anwar, J., Barlow, D., Damodaran, KV. & Merz, KM., 01/2001, In: Biophysical Journal. 80, 1, p. 327A-327A 1 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-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/MagazineJournal articlepeer-review

  6. Published

    Solvent and additive interactions as determinants in the nucleation pathway: general discussion

    Sun, C. C., Sun, W., Price, S., Hughes, C., Ter Horst, J., Veesler, S., Lewtas, K., Myerson, A., Pan, H., Coquerel, G., van den Ende, J., Meekes, H., Mazzotti, M., Rosbottom, I., Taulelle, F., Black, S., Mackenzie, A., Janbon, S., Vekilov, P., Threlfall, T., & 26 othersTurner, T., Back, K., Cuppen, H., Toroz, D., Sefcik, J., Lovelock, J., Hammond, R., Candoni, N., Simone, E., Ward, M., Bertran, C. A., Vetter, T., Sear, R., De Yoreo, J., Davey, R., Anwar, J., Santiso, E., Wu, D. T., Roberts, K., Peters, B., Schroeder, S., Jones, F., Rasmuson, A., Cölfen, H., Zeglinski, J. & Salvalaglio, M., 2015, In: Faraday Discussions. 179, p. 383-420 38 p.

    Research output: Contribution to Journal/MagazineJournal article

  7. Published

    Dielectric analysis of phosphorylcholine head group mobility in egg lecithin liposomes

    Smith, G., Shekunov, BY., Shen, J., Duffy, AP., Anwar, J., Wakerly, MG. & Chakrabarti, R., 08/1996, In: Pharmaceutical Research. 13, 8, p. 1181-1185 5 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  8. Published

    Quantum chemistry common driver and databases (qcdb) and quantum chemistry engine (qce ngine): Automation and interoperability among computational chemistry programs

    Smith, D. G. A., Lolinco, A. T., Glick, Z. L., Lee, J., Alenaizan, A., Barnes, T. A., Borca, C. H., Di Remigio, R., Dotson, D. L., Ehlert, S., Heide, A. G., Herbst, M. F., Hermann, J., Hicks, C. B., Horton, J. T., Hurtado, A. G., Kraus, P., Kruse, H., Lee, S. J. R., Misiewicz, J. P., & 28 othersNaden, L. N., Ramezanghorbani, F., Scheurer, M., Schriber, J. B., Simmonett, A. C., Steinmetzer, J., Wagner, J. R., Ward, L., Welborn, M., Altarawy, D., Anwar, J., Chodera, J. D., Dreuw, A., Kulik, H. J., Liu, F., Martínez, T. J., Matthews, D. A., Schaefer H.F., III., Šponer, J., Turney, J. M., Wang, L-P., De Silva, N., King, R. A., Stanton, J. F., Gordon, M. S., Windus, T. L., Sherrill, C. D. & Burns, L. A., 28/11/2021, In: Journal of Chemical Physics. 155, 20, 22 p., 204801.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  9. Published

    Kinetics of the solid-state phase transformation of form beta to gamma of sulfanilamide using time-resolved energy-dispersive X-ray diffraction

    Sheridan, AK. & Anwar, J., 05/1996, In: Chemistry of Materials. 8, 5, p. 1042-1051 10 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  10. Published

    Prediction of the Mechanical Behaviour of Crystalline Solids

    Shariare, M. H., Leusen, F. J. J., de Matas, M., York, P. & Anwar, J., 01/2012, In: Pharmaceutical Research. 29, 1, p. 319-331 13 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

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