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Varolgünes, Y. B., Bereau, T., & Rudzinski, J. F. (2020). Interpretable embeddings from molecular simulations using Gaussian mixture variational autoencoders. Machine Learning: Science and Technology, 1(1), Article 015012. https://doi.org/10.1088/2632-2153/ab80b7 -
Rahbari, A., Josephson, T. R., Sun, Y., Moultos, O. A., Dubbeldam, D., Siepmann, J. I., & Vlugt, T. J. H. (2020). Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation. Fluid Phase Equilibria, 523, Article 112785. https://doi.org/10.1016/j.fluid.2020.112785 -
D'Imporzano, P., Keune, K., Koornneef, J. M., Hermens, E., Noble, P., Van Zuilen, K., & Davies, G. R. (2020). Micro-invasive method for studying lead isotopes in paintings. Archaeometry, 62(4), 796-809. https://doi.org/10.1111/arcm.12549 -
Gambardella, A. A., Cotte, M., de Nolf, W., Schnetz, K., Erdmann, R., van Elsas, R., Gonzalez, V., Wallert, A., Iedema, P. D., Eveno, M., & Keune, K. (2020). Sulfur K-edge micro- and full-field XANES identify marker for preparation method of ultramarine pigment from lapis lazuli in historical paints. Science Advances, 6(18), Article eaay8782. https://doi.org/10.1126/sciadv.aay8782 -
Gargano, A. F. G., Schouten, O., van Schaick, G., Roca, L. S., van den Berg-Verleg, J. H., Haselberg, R., Akeroyd, M., Abello, N., & Somsen, G. W. (2020). Profiling of a high mannose-type N-glycosylated lipase using hydrophilic interaction chromatography-mass spectrometry. Analytica Chimica Acta, 1109, 69-77. https://doi.org/10.1016/j.aca.2020.02.042 -
Baij, L., Buijs, J., Hermans, J. J., Raven, L., Iedema, P. D., Keune, K., & Sprakel, J. (2020). Quantifying solvent action in oil paint using portable laser speckle imaging. Scientific Reports, 10, Article 10574. https://doi.org/10.1038/s41598-020-67115-1 -
Holtrop, F., Jupp, A. R., Kooij, B. J., van Leest, N. P., de Bruin, B., & Slootweg, J. C. (2020). Single-Electron Transfer in Frustrated Lewis Pair Chemistry. Angewandte Chemie, International Edition, 59(49), 22210-22216. https://doi.org/10.1002/anie.202009717, https://doi.org/10.1002/ange.202009717
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