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.

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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.
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
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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