Papers lab Computational modeling for the design of functional materials

Towards operando computational modeling in heterogeneous catalysis
Chem. Soc. Rev., 2018
Lukáš Grajciar, Christopher J. Heard, Anton A. Bondarenko, Mikhail V. Polynski, Jittima Meeprasert,, Petr Nachtigall Подробнее
Efficient extraction of multivalent cations from aqueous solutions into sitinakite-based sorbents
Chemical Engineering Journal 2018
Perovskiy I.A., Khramenkova E.V.,, Krivoshapkin P.V., Vinogradov A.V., Krivoshapkina E.F. Подробнее
Catalytic (de)hydrogenation promoted by non-precious metals - Co, Fe and Mn: recent advances in an emerging field
Chem. Soc. Rev. 2018
Georgy A. Filonenko,  Robbert van Putten, Emiel J. M. Hensen, Подробнее
An active alkali-exchanged faujasite catalyst for paraxylene production via the one-pot Diels-Alder cycloaddition/dehydration reaction of 2,5-dimethylfuran with ethylene
ACS Catal. 2018
Roderigh Y. Rohling, Evgeny Uslamin, Bart Zijlstra, Ionut C. Tranca, Ivo A. W. Filot, Emiel J. M. Hensen, Подробнее
Origin of Enhanced Brønsted Acidity of NiF-modified Synthetic Mica-Montmorillonite Clay
Catal. Sci. Technol. 2018
Chong Liu, , Emiel J. M. Hensen Подробнее
Confined Carbon Mediating Dehydroaromatization of Methane over Mo/ZSM‐5
Angew. Chem. Int. 2017
Nikolay Kosinov, Alexandra S. G. Wijpkema, Evgeny Uslamin, Roderigh Rohling, Ferdy J. A. G. Coumans, Brahim Mezari, Alexander Parastaev, Artem S. Poryvaev, Matvey V. Fedin,, Emiel J. M. Hensen Подробнее
Multi-site cooperativity in alkali-exchanged faujasites for the production of biomass derived aromatics
ChemPhysChem 2018
Roderigh Y. Rohling, Emiel J. M. Hensen, Подробнее
2-(Trimethylsilyl)-λ3-Phosphinine: Synthesis, Coordination Chemistry and Reactivity
Chem. Eur. J. 2017
Marija H. Habicht, Friedrich Wossidlo, Tobias Bens,, Christian Müller Подробнее
Hydrogenation of Lactic Acid to 1,2-propanediol over Ru-based catalysts
ChemCatChem 2017
Kaituo Liu, Xiaoming Huang,, Emiel J. M. Hensen Подробнее
Electronic Structure of the [Cu3(μ-O)3]2+ Cluster in Mordenite Zeolite and Its Effects on the Methane to Methanol Oxidation
J. Phys. Chem. 2017
Konstantinos D. Vogiatzis, Guanna Li, Emiel J. M. Hensen, Laura Gagliardi, Подробнее