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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 Walsh

Both the experimental contact angle and structural energetic rankings are needed to revisit and develop force fields for interfacial simulations.

History

Journal

Chemical Communications

Volume

57

Issue

27

Pagination

3355 - 3358

Publisher

Royal Society of Chemistry

Location

London, Eng.

Publisher DOI

https://doi.org/10.1039/d1cc00426c

ISSN

1359-7345

eISSN

1364-548X

Language

English

Author URL

http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000635729700008&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a045e4b2bb1f2b747c68c720ec8913b7

Publication classification

C1 Refereed article in a scholarly journal

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Categories

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Keywords

Chemistry Chemistry, Multidisciplinary Physical Sciences Science & Technology

Licence

All Rights Reserved

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