Definition and computation of intermolecular contact in liquids using additively weighted voronoi tessellation

Isele-Holder, Rolf E.; Rabideau, Brooks D.; Ismail, Ahmed E.

Washington, DC : American Chemical Society (2012)

In: The journal of physical chemistry / A, Molecules, spectroscopy, kinetics, environment & general theory
Band: 116
Heft: 18
Seite(n)/Artikel-Nr.: 4657-4666


  • Aachen Institute for Advanced Study in Computational Engineering Science [080003]
  • Lehrstuhl für Prozesstechnik [416410]
  • Fachgruppe Informatik [120000]