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Rutger A van Santen

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Articles 77
Citations 398
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Recent Articles
1.
Vogt C, Meirer F, Monai M, Groeneveld E, Ferri D, van Santen R, et al.
Nat Commun . 2021 Dec; 12(1):7096. PMID: 34876582
Some fundamental concepts of catalysis are not fully explained but are of paramount importance for the development of improved catalysts. An example is the concept of structure insensitive reactions, where...
2.
Sengar A, van Santen R, Steur E, Kuipers J, Padding J
ACS Catal . 2018 Oct; 8(10):9016-9033. PMID: 30319882
Differences in catalyst deactivation kinetics in solid acid catalysis are studied with catalyst models that allow for lateral interaction between protons. Deactivation of a solid acid catalyst with laterally interacting...
3.
van Santen R, Sengar A, Steur E
Faraday Discuss . 2018 May; 208(0):35-52. PMID: 29796544
New insights and successful use of computational catalysis are highlighted. This is within the context of remaining issues that prevent theoretical catalysis to be fully predictive of catalyst performance. A...
4.
Kirschhock C, Buschmann V, Kremer S, Ravishankar R, Houssin C, Mojet B, et al.
Angew Chem Int Ed Engl . 2018 May; 40(14):2637-2640. PMID: 29712317
Tetrapropylammonium (TPA)-containing precursors are the building blocks in the crystallization of silica. In the first steps slab-shaped silicalite nanoparticles are formed by ordered combination of the precursors. These nanoslabs have...
5.
Krijnen S, Abbenhuis H, Hanssen R, van Hooff J, van Santen R
Angew Chem Int Ed Engl . 2018 May; 37(3):356-358. PMID: 29711263
The heterogenization of a titanium(IV) silsesquioxane complex in an MCM-41 molecular sieve, by tailoring the polarity of MCM-41, results in self-assembled materials (see the space-filling model on the right) that...
6.
van Well W, Cottin X, de Haan J, van Santen R, Smit B
Angew Chem Int Ed Engl . 2018 May; 37(8):1081-1083. PMID: 29711017
C NMR spectroscopy and computer simulations have shown that the chain length of hydrocarbons has a surprising effect on where these molecules reside in the zeolite FER. Propane and butane...
7.
Liu C, van Santen R, Poursaeidesfahani A, Vlugt T, Pidko E, Hensen E
ACS Catal . 2017 Dec; 7(12):8613-8627. PMID: 29226012
The alkylation of isobutane with light alkenes plays an essential role in modern petrochemical processes for the production of high-octane gasoline. In this study we have employed periodic DFT calculations...
8.
Liu C, Tranca I, van Santen R, Hensen E, Pidko E
J Phys Chem C Nanomater Interfaces . 2017 Nov; 121(42):23520-23530. PMID: 29142616
Zeolites are widely applied as solid acid catalysts in various technological processes. In this work we have computationally investigated how catalytic reactivity scales with acidity for a range of zeolites...
9.
Meijer L, Joesaar A, Steur E, Engelen W, van Santen R, Merkx M, et al.
Nat Commun . 2017 Oct; 8(1):1117. PMID: 29061965
Inspired by signaling networks in living cells, DNA-based programming aims for the engineering of biochemical networks capable of advanced regulatory and computational functions under controlled cell-free conditions. While regulatory circuits...
10.
Sengar A, Kuipers J, van Santen R, Padding J
Phys Rev E . 2017 Sep; 96(2-1):022115. PMID: 28950548
Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example...