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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

Crossref DOI link: https://doi.org/10.1007/s00214-021-02799-w

Published Online: 2021-07-03

Published Print: 2021-08

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Oğuz, Ismail Can

Vassetti, Dario

Labat, Frédéric https://orcid.org/0000-0002-1967-2769
Funding

Funding for this research was provided by:

Institut National de Chimie (Emergence@INC2020)

Très Grand Centre de Calcul (A0030810135)
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Text and Data Mining valid from 2021-07-03

Version of Record valid from 2021-07-03
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Article History

Received: 17 May 2021

Accepted: 23 May 2021

First Online: 3 July 2021

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