Ben-Naim
mistake
- toluene -> water = approximation to gas phase -> water
- based on the idea of dielectric
- neglects specific interactions - e.g. pi stacking and entropy
Kollman
mistake- separating electrostatic and solvation effects
- what is solvation?
- organisation of solvent molecules about a solute
- initially a crude "Ewald" alignment - more detailed with time
- alignment controlled by electrostatics, driven by entropy - halts when entropy is maximum
