Optimized Intermolecular Potential Functions for Liquid Alcohols

@inproceedings{M2001OptimizedIP,
  title={Optimized Intermolecular Potential Functions for Liquid Alcohols},
  author={M.. and A.. and El-Sayed},
  year={2001}
}
Intermolecular potential functions have been developed for use in computer simulations of liquid alcohols and other molecules with hydroxyl groups. The functions are based on earlier work for liquid hydrocarbons and required introduction of few new parameters. Optimization of the parameters involved studids of hydrogen-bonded complexes and Monte Carlo simulations for liquid methanol. Further application then consisted of Monte Carlo simulations for liquid methanol, ethanol, 1-propanol, 2… CONTINUE READING
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