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Adsorption, X-ray diffraction, photoelectron, and atomic emission spectroscopy benchmark studies for the eighth industrial fluid properties simulation challenge.
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- Adsorption Science & Technology, 2016, v. 34, n. 1, p. 13, doi. 10.1177/0263617415619541
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The Eighth Industrial Fluids Properties Simulation Challenge.
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- Adsorption Science & Technology, 2016, v. 34, n. 1, p. 3, doi. 10.1177/0263617415619521
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- Article
Prediction of Hildebrand solubility parameters of acrylate and methacrylate monomers and their mixtures by molecular simulation.
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- Journal of Applied Polymer Science, 2010, v. 116, n. 1, p. 1, doi. 10.1002/app.31232
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- Article
Molecular insights for the optimization of solvent-based selective extraction of ethanol from fermentation broths.
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- AIChE Journal, 2013, v. 59, n. 8, p. 3065, doi. 10.1002/aic.14055
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- Article
Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cations.
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- Journal of Computational Chemistry, 2008, v. 29, n. 2, p. 185, doi. 10.1002/jcc.20717
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- Article