Complexity Because of the Number of Components in the Chemical System

  • Enrico Clementi
Part of the Lecture Notes in Chemistry book series (LNC, volume 19)


In the past rare gases provided the testing ground for theories and simulations on the liquid state; today liquid water has assumed that role. The added complexity in the intermolecular interactions and the importanc of water as a solvent are two of the reasons for this shift. Pioneering studies in this direction have been presented by Baker, et al.(144) where Monte Carlo simulations based on empirical water-water potentials were considered. In the following we shall be mainly concerned with quantum-mechanically derived potentials.


Water Molecule Interaction Energy Radial Distribution Function Hydration Shell Solvation Shell 
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Copyright information

© Springer-Verlag Berlin Heidelberg 1980

Authors and Affiliations

  • Enrico Clementi
    • 1
  1. 1.IBM Data ProcessingProduct GroupPoughkeepsieUSA

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