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Equilibrium properties of the reaction H2 ⇌ 2H by classical molecular dynamics simulations.
Phys Chem Chem Phys. 2014 Jan 21;16(3):1227-37. doi: 10.1039/c3cp54149e. Epub 2013 Dec 2.
Phys Chem Chem Phys. 2014.
PMID: 24296986
The reaction enthalpy of hydrogen dissociation calculated with the Small System Method from simulation of molecular fluctuations.
Skorpa R, Simon JM, Bedeaux D, Kjelstrup S.
Skorpa R, et al.
Phys Chem Chem Phys. 2014 Sep 28;16(36):19681-93. doi: 10.1039/c4cp02768j.
Phys Chem Chem Phys. 2014.
PMID: 25113221
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Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation.
Schnell SK, Skorpa R, Bedeaux D, Kjelstrup S, Vlugt TJ, Simon JM.
Schnell SK, et al. Among authors: skorpa r.
J Chem Phys. 2014 Oct 14;141(14):144501. doi: 10.1063/1.4896939.
J Chem Phys. 2014.
PMID: 25318729
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Assessment of Cementitious Composites for High-Temperature Geothermal Wells.
Pyatina T, Sugama T, Moghadam A, Naumann M, Skorpa R, Feneuil B, Soustelle V, Godøy R.
Pyatina T, et al. Among authors: skorpa r.
Materials (Basel). 2024 Mar 13;17(6):1320. doi: 10.3390/ma17061320.
Materials (Basel). 2024.
PMID: 38541474
Free PMC article.
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