Publikationen von Karen Johnston
Alle Typen
Zeitschriftenartikel (14)
Zeitschriftenartikel
644, S. 113 - 121 (2016)
Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theory. Surface Science
Zeitschriftenartikel
47 (23), S. 8459 - 8465 (2014)
Interphase of a Polymer at a Solid Interface. Macromolecules
Zeitschriftenartikel
118 (12), S. 6235 - 6241 (2014)
Tuning the Adsorption of Aromatic Molecules on Platinum via Halogenation. Journal of Physical Chemistry C
Zeitschriftenartikel
9 (29), S. 6696 - 6710 (2013)
Hierarchical simulations of hybrid polymer-solid materials. Soft Matter
Zeitschriftenartikel
46 (14), S. 5741 - 5750 (2013)
Hierarchical Multiscale Modeling of Polymer-Solid Interfaces: Atomistic to Coarse-Grained Description and Structural and Conformational Properties of Polystyrene-Gold Systems. Macromolecules
Zeitschriftenartikel
8 (23), S. 6320 - 6332 (2012)
Properties of short polystyrene chains confined between two gold surfaces through a combined density functional theory and classical molecular dynamics approach. Soft Matter
Zeitschriftenartikel
116 (37), S. 19781 - 19788 (2012)
Development of Classical Molecule-Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability. Journal of Physical Chemistry C
Zeitschriftenartikel
116 (38), S. 20409 - 20416 (2012)
Adsorption of Dichlorobenzene on Au and Pt Stepped Surfaces Using van der Waals Density Functional Theory. The Journal of Physical Chemistry C
Zeitschriftenartikel
13 (22), S. 10577 - 10583 (2011)
Modelling molecule-surface interactions-an automated quantum-classical approach using a genetic algorithm. Physical Chemistry Chemical Physics
Zeitschriftenartikel
115 (30), S. 14707 - 14717 (2011)
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
Zeitschriftenartikel
7 (14), S. 6457 - 6466 (2011)
A hierarchical dualscale study of bisphenol-A-polycarbonate on a silicon surface: structure, dynamics and impurity diffusion. Soft Matter
Zeitschriftenartikel
81 (23), 235428 (2010)
Adsorption structures of phenol on the Si(001)-(2X1) surface calculated using density functional theory. Physical Review B
Zeitschriftenartikel
114 (23), S. 10592 - 10597 (2010)
Charge Transport in Self-Assembled Semiconducting Organic Layers: Role of Dynamic and Static Disorder. Journal of Physical Chemistry C
Zeitschriftenartikel
78 (9), 094102 (2008)
Computational study of (111) epitaxially strained ferroelectric perovskites BaTiO3 and PbTiO3. Physical Review B