Assessing the performances of different continuum solvation models for the calculation of hydration energies of molecules, polymers and surfaces: a comparison between the SMD, VASPsol and FDPB models.
| Autor: | Oğuz, Ismail Can1 (AUTHOR), Vassetti, Dario1 (AUTHOR), Labat, Frédéric1 (AUTHOR) frederic.labat@chimieparistech.psl.eu |
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| Zdroj: | Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Aug2021, Vol. 140 Issue 8, p1-13. 13p. |
| Databáze: | Academic Search Ultimate |
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