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Journal Article (14)

  1. 1.
    Journal Article
    Johnston, K.; Peköz, R.; Donadio, D.: Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theory. Surface Science 644, pp. 113 - 121 (2016)
  2. 2.
    Journal Article
    Butt, H.-J.; Duran, H.; Egger, W.; Faupel, F.; Harmandaris, V.; Harms, S.; Johnston, K.; Kremer, K.; Lin, F.-Y.; Lue, L. et al.; Ohrt, C.; Raetzke, K.; Ravelli, L.; Steffen, W.; Vianna, S. D. B.: Interphase of a Polymer at a Solid Interface. Macromolecules 47 (23), pp. 8459 - 8465 (2014)
  3. 3.
    Journal Article
    Peköz, R.; Johnston, K.; Donadio, D.: Tuning the Adsorption of Aromatic Molecules on Platinum via Halogenation. Journal of Physical Chemistry C 118 (12), pp. 6235 - 6241 (2014)
  4. 4.
    Journal Article
    Johnston, K.; Harmandaris, V.: Hierarchical simulations of hybrid polymer-solid materials. Soft Matter 9 (29), pp. 6696 - 6710 (2013)
  5. 5.
    Journal Article
    Johnston, K.; Harmandaris, V.: Hierarchical Multiscale Modeling of Polymer-Solid Interfaces: Atomistic to Coarse-Grained Description and Structural and Conformational Properties of Polystyrene-Gold Systems. Macromolecules 46 (14), pp. 5741 - 5750 (2013)
  6. 6.
    Journal Article
    Johnston, K.; Harmandaris, V.: Properties of short polystyrene chains confined between two gold surfaces through a combined density functional theory and classical molecular dynamics approach. Soft Matter 8 (23), pp. 6320 - 6332 (2012)
  7. 7.
    Journal Article
    Johnston, K.; Herbers, C. R.; van der Vegt, N. F. A.: Development of Classical Molecule-Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability. Journal of Physical Chemistry C 116 (37), pp. 19781 - 19788 (2012)
  8. 8.
    Journal Article
    Peköz, R.; Johnston, K.; Donadio, D.: Adsorption of Dichlorobenzene on Au and Pt Stepped Surfaces Using van der Waals Density Functional Theory. The Journal of Physical Chemistry C 116 (38), pp. 20409 - 20416 (2012)
  9. 9.
    Journal Article
    Herbers, C. R.; Johnston, K.; van der Vegt, N. F. A.: Modelling molecule-surface interactions-an automated quantum-classical approach using a genetic algorithm. Physical Chemistry Chemical Physics 13 (22), pp. 10577 - 10583 (2011)
  10. 10.
    Journal Article
    Johnston, K.; Nieminen, R. M.; Kremer, K.: A hierarchical dualscale study of bisphenol-A-polycarbonate on a silicon surface: structure, dynamics and impurity diffusion. Soft Matter 7 (14), pp. 6457 - 6466 (2011)
  11. 11.
    Journal Article
    Johnston, K.; Harmandaris, V.: Properties of Benzene Confined between Two Au(111) Surfaces Using a Combined Density Functional Theory and Classical Molecular Dynamics Approach. Journal of Physical Chemistry C 115 (30), pp. 14707 - 14717 (2011)
  12. 12.
    Journal Article
    Johnston, K.; Gulans, A.; Verho, T.; Puska, M. J.: Adsorption structures of phenol on the Si(001)-(2X1) surface calculated using density functional theory. Physical Review B 81 (23), 235428 (2010)
  13. 13.
    Journal Article
    Vehoff, T.; Chung, Y. S.; Johnston, K.; Troisi, A.; Yoon, D. Y.; Andrienko, D.: Charge Transport in Self-Assembled Semiconducting Organic Layers: Role of Dynamic and Static Disorder. Journal of Physical Chemistry C 114 (23), pp. 10592 - 10597 (2010)
  14. 14.
    Journal Article
    Oja, R.; Johnston, K.; Frantti, J.; Nieminen, R. M.: Computational study of (111) epitaxially strained ferroelectric perovskites BaTiO3 and PbTiO3. Physical Review B 78 (9), 094102 (2008)
 
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