Reactivity towards water of silicon nitride: Energy of interaction and hydration dehydration mechanism
✍ Scribed by Bice Fubini; Marco Volante; Vera Bolis; Elio Giamello
- Publisher
- Springer
- Year
- 1989
- Tongue
- English
- Weight
- 667 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0022-2461
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A parameterized self-consistent reaction field model allowing computation of the total free energy of hydration of organic molecules at the ab inifio level is presented. The approach uses electrostatic plus polarization energies calculated with the help of a continuum model. The remaining solvation
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