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Acetone in Water: Electrostatic Interactions<br />
• Non-‐bonded interac4ons between polar molecules <br />
(here: acetone and surrounding water molecules) <br />
– described in terms of electrosta4c interac4ons between <br />
fragments having an internal asymmetry in the electron <br />
distribu4on. <br />
– the fundamental interac4on is in between the ElectroSta4c <br />
Poten4al (ESP), also called Molecular Electrosta4c Poten4al <br />
(MEP) generated by one molecule (or frac4on thereof) and <br />
the charged par4cles of one another. <br />
– the ESP at posi4on r is given as a sum of contribu4ons from <br />
the nuclei and the electronic wave func4on. <br />
– Force fields: no wave func4on available <br />
therefore: assign atomic charges
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