Dr Yun Liem

View graph of relations

Publications

  1. 2019
  2. Published

    The Influence of Water Potential in Simulation: a Catabolite Activator Protein Case Study

    Liem, Y. & Popelier, P., 2019, In : Journal of molecular modeling.

    Research output: Contribution to journalArticlepeer-review

  3. 2014
  4. Published

    The hydration of serine: multipole moments versus point charges

    Liem, S. Y. & Popelier, P. L. A., 2014, In : Physical Chemistry Chemical Physics. 16, 9, p. 4122-4134 13 p.

    Research output: Contribution to journalArticlepeer-review

  5. 2011
  6. Published

    Aqueous imidazole solutions: A structural perspective from simulations with high-rank electrostatic multipole moments

    Liem, S. Y., Shaik, M. S. & Popelier, P. L. A., 6 Oct 2011, In : Journal of Physical Chemistry B. 115, 39, p. 11389-11398 9 p.

    Research output: Contribution to journalArticlepeer-review

  7. 2010
  8. Published

    Simulation of liquid imidazole using a high-rank quantum topological electrostatic potential

    Shaik, M. S., Liem, S. Y., Yuan, Y. & Popelier, P. L. A., 7 Dec 2010, In : Physical Chemistry Chemical Physics. 12, 45, p. 15040-15055 15 p.

    Research output: Contribution to journalArticlepeer-review

  9. Published

    Properties of liquid water from a systematic refinement of a high-rank multipolar electrostatic potential

    Shaik, M. S., Liem, S. Y. & Popelier, P. L. A., 7 May 2010, In : Journal of Chemical Physics. 132, 17, 174504.

    Research output: Contribution to journalArticlepeer-review

  10. 2008
  11. Published

    Properties and 3D structure of liquid water: A perspective from a high-rank multipolar electrostatic potential

    Liem, S. Y. & Popelier, P. L. A., Feb 2008, In : Journal of Chemical Theory and Computation. 4, 2, p. 353-365 12 p.

    Research output: Contribution to journalArticlepeer-review

  12. Published

    Room temperature ionic liquids containing low water concentrations - A molecular dynamics study

    Porter, A. R., Liem, S. Y. & Popelier, P. L. A., 2008, In : Physical Chemistry Chemical Physics. 10, 29, p. 4240-4248 8 p.

    Research output: Contribution to journalArticlepeer-review

  13. 2007
  14. Published

    A polarizable high-rank quantum topological electrostatic potential developed using neural networks: Molecular dynamics simulations on the hydrogen fluoride dimer

    Houlding, S., Liem, S. Y. & Popelier, P. L. A., 15 Nov 2007, In : International Journal of Quantum Chemistry. 107, 14, p. 2817-2827 10 p.

    Research output: Contribution to journalArticlepeer-review

  15. 2004
  16. Published

    Simulation of liquid water using a high-rank quantum topological electrostatic potential

    Liem, S. Y., Popelier, P. L. A. & Leslie, M., 15 Sep 2004, In : International Journal of Quantum Chemistry. 99, 5, p. 685-694 9 p.

    Research output: Contribution to journalArticlepeer-review

  17. Published

    Evidence from first principles calculations for a bent CO2 intermediate in the oxidation of carbon monoxide on the Cu (110) surface

    Liem, S. Y. & Clarke, J. H. R., 1 Sep 2004, In : Journal of Chemical Physics. 121, 9, p. 4339-4345 6 p.

    Research output: Contribution to journalArticlepeer-review

Previous 1 2 3 Next

Research Explorer downloads

71

Research output: Contribution to journalArticlepeer-review