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Rosa E. Bulo

Utrecht University

32

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965

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Role of Rare Earth Ions in the Prevention of Dealumination of Zeolite Y for Fluid Cracking Catalysts

2020 The Journal of Physical Chemistry
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Insights into the activation of silica-supported metallocene olefin polymerization catalysts by methylaluminoxane

2018 Catalysis Today
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Protonated thiophene-based oligomers as formed within zeolites: understanding their electron delocalization and aromaticity†

2016 Physical Chemistry Chemical Physics
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Proton Transfer in Aqueous Solution: Exploring the Boundaries of Adaptive QM/MM

2015
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Effect of Temperature on the Adsorption of Short Alkanes in the Zeolite SSZ-13—Adapting Adsorption Isotherms to Microporous Materials

2014 ACS Catalysis
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Multiscale Modeling of Chemistry in Water: Are We There Yet?

2013 Journal of Chemical Theory and Computation
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What Makes Copper-Exchanged SSZ-13 Zeolite Efficient at Cleaning Car Exhaust Gases?

2013 Journal of Physical Chemistry Letters
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Energy extrapolation schemes for adaptive multi-scale molecular dynamics simulations

2012 Journal of Chemical Physics
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PyADF — A scripting framework for multiscale quantum chemistry

2011 Journal of Computational Chemistry
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Bias‐exchange metadynamics applied to the study of chemical reactivity

2010 International Journal of Quantum Chemistry
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