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Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces.
Nanomaterials (Basel). 2019 Apr 26;9(5):663. doi: 10.3390/nano9050663.
Nanomaterials (Basel). 2019.
PMID: 31035519
Free PMC article.
Reactive Grand-Canonical Monte Carlo Simulations for Modeling Hydration of MgCl2.
Heijmans K, Tranca IC, Chang MW, Vlugt TJH, Gaastra-Nedea SV, Smeulders DMJ.
Heijmans K, et al.
ACS Omega. 2021 Nov 25;6(48):32475-32484. doi: 10.1021/acsomega.1c03909. eCollection 2021 Dec 7.
ACS Omega. 2021.
PMID: 34901597
Free PMC article.
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Gibbs Ensemble Monte Carlo for Reactive Force Fields to Determine the Vapor-Liquid Equilibrium of CO2 and H2O.
Heijmans K, Tranca IC, Smeulders DMJ, Vlugt TJH, Gaastra-Nedea SV.
Heijmans K, et al.
J Chem Theory Comput. 2021 Jan 12;17(1):322-329. doi: 10.1021/acs.jctc.0c00876. Epub 2020 Dec 22.
J Chem Theory Comput. 2021.
PMID: 33350819
Free PMC article.
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