Free-energy Calculations Using Classical Molecular Simulation: Application to the Determination of the Melting Point and Chemical Potential of a Flexible RDX Model.

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SYSNO	0461336
Title	Free-energy Calculations Using Classical Molecular Simulation: Application to the Determination of the Melting Point and Chemical Potential of a Flexible RDX Model.
Author(s)	Sellers, M.S. (US) Lísal, Martin (UCHP-M)_{RID, ORCID, SAI} Brennan, J.K. (US)
Source Title	Physical Chemistry Chemical Physics. Roč. 18, č. 11 (2016), s. 7841-7850. - : Royal Society of Chemistry
Document Type	Článek v odborném periodiku
Grant	GA13-02938S GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
	W911NF-10-2-0039, US - United States
Institutional support	UCHP-M - RVO:67985858
Language	eng
Country	GB
Keywords	solid-liquid coexistence * atomistic simulation * dynamics simulations
Permanent Link	http://hdl.handle.net/11104/0260953

	File	Download	Size	Commentary	Version	Access
	17799.pdf	1	1.9 MB		Publisher’s postprint	open-access

Number of the records: 1