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Free-energy Calculations Using Classical Molecular Simulation: Application to the Determination of the Melting Point and Chemical Potential of a Flexible RDX Model.
- 1.0461336 - ÚCHP 2017 RIV GB eng J - Journal Article
Sellers, M.S. - Lísal, Martin - Brennan, J.K.
Free-energy Calculations Using Classical Molecular Simulation: Application to the Determination of the Melting Point and Chemical Potential of a Flexible RDX Model.
Physical Chemistry Chemical Physics. Roč. 18, č. 11 (2016), s. 7841-7850. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA13-02938S
Grant - others:ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : solid-liquid coexistence * atomistic simulation * dynamics simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.123, year: 2016
Permanent Link: http://hdl.handle.net/11104/0260953File Download Size Commentary Version Access 17799.pdf 1 1.9 MB Publisher’s postprint open-access
Number of the records: 1