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Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory.

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Title: Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory.
Authors: Corsini, NR
Greco, A
Hine, ND
Molteni, C
Haynes, PD
Item Type: Journal Article
Issue Date: 28-Aug-2013
URI: http://hdl.handle.net/10044/1/12190
DOI: http://dx.doi.org/10.1063/1.4819132
Start Page: 084117
Journal / Book Title: J Chem Phys
Volume: 139
Issue: 8
Copyright Statement: © Author(s) 2013. Attribution CC BY. This license lets others distribute, remix, tweak, and build upon your work, even commercially, as long as they credit you for the original creation. This is the most accommodating of licenses offered. Recommended for maximum dissemination and use of licensed materials.
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