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Dubbeldam, D., Walton, K. S., Vlugt, T. J. H., & Calero, S. (2019). Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials. Advanced Theory and Simulations, 2(11), Article 1900135. https://doi.org/10.1002/adts.201900135 -
Pirok, B. W. J., den Uijl, M. J., Moro, G., Berbers, S. V. J., Croes, C. J. M., van Bommel, M. R., & Schoenmakers, P. J. (2019). Characterization of Dye Extracts from Historical Cultural-Heritage Objects using State-of-the-Art Comprehensive Two-Dimensional Liquid Chromatography and Mass Spectrometry with Active Modulation and Optimized Shifting Gradients. Analytical Chemistry, 91(4), 3062-3069. https://doi.org/10.1021/acs.analchem.8b05469 -
Bai, S.-T., Kluwer, A. M., & Reek, J. N. H. (2019). Effector enhanced enantioselective hydroformylation. Chemical Communications, 55(94), 14151-14154. https://doi.org/10.1039/c9cc07327b -
Dubbeldam, D., Vreede, J., Vlugt, T. J. H., & Calero, S. (2019). Highlights of (bio-)chemical tools and visualization software for computational science. Current Opinion in Chemical Engineering, 23, 1-13. https://doi.org/10.1016/j.coche.2019.02.001 -
Rebreyend, C., Mouarrawis, V., Siegler, M. A., van der Vlugt, J. I., & de Bruin, B. (2019). Steric Protection of Rhodium-Nitridyl Radical Species. European Journal of Inorganic Chemistry, 2019(39-40), 4249-4255. https://doi.org/10.1002/ejic.201900591 -
Rahbari, A., Hens, R., Jamali, S. H., Ramdin, M., Dubbeldam, D., & Vlugt, T. J. H. (2019). Effect of truncating electrostatic interactions on predicting thermodynamic properties of water-methanol systems. Molecular Simulation, 45(4-5), 336-350. https://doi.org/10.1080/08927022.2018.1547824 -
Kranenburg, R. F., GarcĂa-Cicourel, A. R., Kukurin, C., Janssen, H.-G., Schoenmakers, P. J., & van Asten, A. C. (2019). Distinguishing drug isomers in the forensic laboratory: GC-VUV in addition to GC-MS for orthogonal selectivity and the use of library match scores as a new source of information. Forensic Science International, 302, Article 109900. https://doi.org/10.1016/j.forsciint.2019.109900 -
Martin-Calvo, A., Gutierrez-Sevillano, J. J., Dubbeldam, D., & Calero, S. (2019). Using Aliphatic Alcohols to Tune Benzene Adsorption in MAF-6. Advanced Theory and Simulations, 2(11), Article 1900112. https://doi.org/10.1002/adts.201900112
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