File(s) under permanent embargo

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

Version 2 2024-06-04, 05:27

Version 1 2021-03-18, 08:24

journal contribution

posted on 2024-06-04, 05:27 authored by LN 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

Pagination

3355-3358

Location

England

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

Issue

27

Publisher

ROYAL SOC CHEMISTRY

Usage metrics

Categories

No categories selected

Keywords

Science & Technology Physical Sciences Chemistry, Multidisciplinary Chemistry Air Force Office of Scientific Research Grant FA9550-18-1-0329 3406 Physical chemistry 3407 Theoretical and computational chemistry

Licence

All Rights Reserved

Exports

RefWorks

BibTeX

Ref. manager

Endnote

DataCite

NLM

DC