Density functional theory for modelling large molecular adsorbate–surface interactions: a mini-review and worked example

  • Jon Paul Janet, Qing Zhao, Efthymios I. Ioannidis, Heather J. Kulik
  • Molecular Simulation, November 2016, Taylor & Francis
  • DOI: 10.1080/08927022.2016.1258465

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http://dx.doi.org/10.1080/08927022.2016.1258465