Home > Research > Browse

Results for MOLECULAR-DYNAMICS

Publications & Outputs

  1. Iminoacyl Alkyl Complexes of Zirconium Supported by a Ferrocene-Linked Diphosphinoamide ligand Scaffold

    Halcovitch, N. R. & Fryzuk, M. D., 16/02/2016, In : Australian Journal of Chemistry. 69, 5, p. 555-560 6 p.

    Research output: Contribution to journalJournal article

  2. Characterization of the dynamics in the protonic conductor CsH2PO4 by O-17 solid-state NMR spectroscopy and first-principles calculations: correlating phosphate and protonic motion

    Kim, G., Griffin, J. M., Blanc, F., Haile, S. M. & Grey, C. P., 25/03/2015, In : Journal of the American Chemical Society. 137, 11, p. 3867-3876 10 p.

    Research output: Contribution to journalJournal article

  3. Deuterium MAS NMR studies of dynamics on multiple timescales: histidine and oxalic acid

    Chan-Huot, M., Wimperis, S., Gervais, C., Bodenhausen, G. & Duma, L., 12/01/2015, In : ChemPhysChem. 16, 1, p. 204-215 12 p.

    Research output: Contribution to journalJournal article

  4. Thermal conductivity and the isotope effect in Li2O

    Lu, H., Murphy, S. T., Rushton, M. J. D., Parfitt, D. C. & Grimes, R. W., 11/2012, In : Fusion Engineering and Design. 87, 11, p. 1834-1838 5 p.

    Research output: Contribution to journalJournal article

  5. Ice I-h-water interfacial free energy of simple water models with full electrostatic interactions

    Davidchack, R. L., Handal, R., Anwar, J. & Brukhno, A. V., 07/2012, In : Journal of Chemical Theory and Computation. 8, 7, p. 2383-2390 8 p.

    Research output: Contribution to journalJournal article

  6. Liquid-liquid phase equilibria in nicotine (aqueous) solutions

    Grozdanic, N. D., Najdanovic, V., Kijevcanin, M. L., Serbanovic, S. P., da Ponte, M. N. & Visak, Z. P., 25/11/2011, In : Fluid Phase Equilibria. 310, 1-2, p. 198-206 9 p.

    Research output: Contribution to journalJournal article

  7. Phase stability and the arsenic vacancy defect in InxGa1-xAs

    Murphy, S. T., Chroneos, A., Grimes, R. W., Jiang, C. & Schwingenschloegl, U., 17/11/2011, In : Physical review B. 84, 18, 7 p., 184108.

    Research output: Contribution to journalJournal article

  8. Evaluation and optimization of a force field for crystalline forms of mannitol and sorbitol

    de Waard, H., Amani, A., Kendrick, J., Hinrichs, W. L. J., Frijlink, H. W. & Anwar, J., 14/01/2010, In : Journal of Physical Chemistry B. 114, 1, p. 429-436 8 p.

    Research output: Contribution to journalJournal article

  9. Dynamics on the microsecond timescale in hydrous silicates studied by solid-state H-2 NMR spectroscopy

    Griffin, J. M., Miller, A. J., Berry, A. J., Wimperis, S. & Ashbrook, S. E., 2010, In : Physical Chemistry Chemical Physics. 12, 12, p. 2989-2998 10 p.

    Research output: Contribution to journalJournal article

  10. An optimized force field for crystalline phases of resorcinol

    Chatchawalsaisin, J., Kendrick, J., Tuble, S. C. & Anwar, J., 2008, In : CrystEngComm. 10, 4, p. 437-445 9 p.

    Research output: Contribution to journalJournal article

  11. Computer simulation of crystallization from solution

    Anwar, J. & Boateng, PK., 23/09/1998, In : Journal of the American Chemical Society. 120, 37, p. 9600-9604 5 p.

    Research output: Contribution to journalJournal article

More results »