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Force fields for water-surface interaction: is reproduction of the experimental water contact angle enough?
journal contribution
posted on 2021-01-01, 00:00 authored by Le Nhan Pham, Tiffany WalshTiffany WalshBoth the experimental contact angle and structural energetic rankings are needed to revisit and develop force fields for interfacial simulations.
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Journal
Chemical CommunicationsVolume
57Issue
27Pagination
3355 - 3358Publisher
Royal Society of ChemistryLocation
London, Eng.Publisher DOI
ISSN
1359-7345eISSN
1364-548XLanguage
EnglishPublication classification
C1 Refereed article in a scholarly journalUsage metrics
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