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Aqueous citrate: a first-principles and force-field molecular dynamics study

Wright, Louise B., Rodger, P. Mark and Walsh, Tiffany R. 2013, Aqueous citrate: a first-principles and force-field molecular dynamics study, RSC advances, vol. 3, no. 37, pp. 16399-16409, doi: 10.1039/c3ra42437e.

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Title Aqueous citrate: a first-principles and force-field molecular dynamics study
Author(s) Wright, Louise B.
Rodger, P. Mark
Walsh, Tiffany R.ORCID iD for Walsh, Tiffany R. orcid.org/0000-0002-0233-9484
Journal name RSC advances
Volume number 3
Issue number 37
Start page 16399
End page 16409
Total pages 11
Publisher Royal Society of Chemistry
Place of publication Cambridge, England
Publication date 2013-10-07
ISSN 2046-2069
Keyword(s) force-field
molecular dynamics
first-principles simulations
citrate
aqueous
Notes 7 Oct. 2013
Language eng
DOI 10.1039/c3ra42437e
Field of Research 030701 Quantum Chemistry
030704 Statistical Mechanics in Chemistry
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
Persistent URL http://hdl.handle.net/10536/DRO/DU:30057426

Document type: Journal Article
Collection: Institute for Frontier Materials
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Created: Tue, 05 Nov 2013, 11:12:04 EST

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