Cosmo-rsc: 2 order quasi-chemical theory recovering local surface correlation effects

HIGHLIGHTS

• who: COSMO-RSC et al. from the COSMOlogic GmbHandCoKG, Imbacher Weg, Leverkusen, Germany Institute of Physical and Theoretical Chemistry, University of Regensburg, Germany have published the research work: COSMO-RSC: 2 Order Quasi-Chemical Theory Recovering Local Surface Correlation Effects, in the Journal: (JOURNAL)
• what: The authors demonstrate and test the new theory using an artificial lattice Monte-Carlo (LMC) liquid, which allows for a clearer analysis of the local surface correlations than real fluids would do. In the model example considered in this paper the computational costs of COSMORSC are just about 3 times . . .
  

   

  

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