Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution.
Iñaki TuñónManuel F. Ruiz-LópezDaniel RinaldiJuan BertránPublished in: J. Comput. Chem. (1996)
Keyphrases
- mathematical model
- simulation study
- closed form
- high level
- data sets
- probabilistic model
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- stochastic processes
- probability distribution
- regression analysis
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- process model
- energy function
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- cost function