Force fields for water-surface interaction: is reproduction of the experimental water contact angle enough?

Pham, Le Nhan and Walsh, Tiffany 2021, Force fields for water-surface interaction: is reproduction of the experimental water contact angle enough?, Chemical Communications, vol. 57, no. 27, pp. 3355-3358, doi: 10.1039/d1cc00426c.

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Title Force fields for water-surface interaction: is reproduction of the experimental water contact angle enough?
Author(s) Pham, Le NhanORCID iD for Pham, Le Nhan orcid.org/0000-0001-9736-0747
Walsh, TiffanyORCID iD for Walsh, Tiffany orcid.org/0000-0002-0233-9484
Journal name Chemical Communications
Volume number 57
Issue number 27
Start page 3355
End page 3358
Total pages 4
Publisher Royal Society of Chemistry
Place of publication London, Eng.
Publication date 2021
ISSN 1359-7345
1364-548X
Keyword(s) Chemistry
Chemistry, Multidisciplinary
Physical Sciences
Science & Technology
Summary

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

Language eng
DOI 10.1039/d1cc00426c
Field of Research 03 Chemical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
Grant ID Air Force Office of Scientific Research Grant FA9550-18-1-0329
Persistent URL http://hdl.handle.net/10536/DRO/DU:30149272

Document type: Journal Article
Collections: Institute for Frontier Materials
GTP Research
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