Zobrazeno 1 - 10
of 329
pro vyhledávání: '"and Rutger A. van Santen"'
Autor:
Charlotte Vogt, Florian Meirer, Matteo Monai, Esther Groeneveld, Davide Ferri, Rutger A. van Santen, Maarten Nachtegaal, Raymond R. Unocic, Anatoly I. Frenkel, Bert M. Weckhuysen
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-10 (2021)
Structure insensitivity in catalysis has been empirically observed, but no satisfactory theoretical explanation could be given. By studying different nanoparticle sizes under dynamic catalytic conditions reaction-dependent particle size dependent res
Externí odkaz:
https://doaj.org/article/836e0463ed0749b18d6d30b1ae61e26e
Autor:
Lenny H. H. Meijer, Alex Joesaar, Erik Steur, Wouter Engelen, Rutger A. van Santen, Maarten Merkx, Tom F. A. de Greef
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-11 (2017)
Naturally evolved regulatory circuits have hierarchical layers of signal generation and processing. Here, the authors emulate these networks using feedback-controlled DNA circuits that convert upstream signaling to downstream enzyme activity in a swi
Externí odkaz:
https://doaj.org/article/a0c209b4d05a45be9da69efaa3c73650
Autor:
Rutger A. van Santen
Publikováno v:
Comprehensive Inorganic Chemistry III, 1-10(3), 293-310
Comprehensive Inorganic Chemistry III ISBN: 9780128231531
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering
Comprehensive Inorganic Chemistry III ISBN: 9780128231531
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering
A catalytic reaction is a complex cyclic reaction network of a sequence of elementary reactions. The initial part of this article considers the rate of elementary reactions where organic molecules are activated by zeolite protons. It will be seen tha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f69a12585794fec9d64ae12ad451d06b
https://doi.org/10.1016/b978-0-12-823144-9.00010-8
https://doi.org/10.1016/b978-0-12-823144-9.00010-8
Publikováno v:
Comprehensive Inorganic Chemistry III, Third Edition, 1-10, 1-17
Comprehensive Inorganic Chemistry III ISBN: 9780128231531
Comprehensive Inorganic Chemistry III ISBN: 9780128231531
This chapter provides an outline of the contents of the book. A sketch of the historic development of molecular heterogeneous catalysis is given as a context to the selection of collected chapters.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e408f9da759e13d5d30e4b5aeb7c0ce
https://research.tue.nl/nl/publications/a80fdda1-ddb4-4655-a439-fba33336050c
https://research.tue.nl/nl/publications/a80fdda1-ddb4-4655-a439-fba33336050c
Autor:
Rutger A van Santen
Publikováno v:
Catalytic Science Series ISBN: 9781800614000
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::edcb2ccd6a67de6f099ae6c0c5ca792f
https://doi.org/10.1142/q0412
https://doi.org/10.1142/q0412
Publikováno v:
ACS Catalysis, 10(13), 6988-7006. American Chemical Society
A kinetics theory of catalyst deactivation is presented of the solid acid-catalyzed alkylation reaction of isobutane with propylene or butene that gives alkylate, a high octane fuel, as product. The intimate relation between the kinetics network of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3dd7cf98344866d306fac76960c27df6
https://research.tue.nl/en/publications/10e56322-e868-4186-8fd8-bcc8748b0fd2
https://research.tue.nl/en/publications/10e56322-e868-4186-8fd8-bcc8748b0fd2
Publikováno v:
Complexity Science. :i-xviii
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ea23199d4564cba34ef36c45b31f46b3
https://doi.org/10.1142/9789813239609_fmatter
https://doi.org/10.1142/9789813239609_fmatter
Publikováno v:
Faraday Discussions. 208:35-52
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 major challenge is to include in modelling
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39efa4764d131d6dc2a3530ed0f37670
https://doi.org/10.1039/c7fd00208d
https://doi.org/10.1039/c7fd00208d
Autor:
Rutger A. van Santen, Chong Liu, Ejm Emiel Hensen, Evgeny A. Pidko, Ali Poursaeidesfahani, Tjh Thijs Vlugt
Publikováno v:
ACS Catalysis, 7(12)
ACS Catalysis
ACS Catalysis, 7(12), 8613-8627. American Chemical Society
ACS Catalysis
ACS Catalysis, 7(12), 8613-8627. American Chemical Society
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 combined with microkinetic simulations to in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d77d7d759969753b0758f4cd8f9166a7
http://www.scopus.com/inward/record.url?scp=85036479654&partnerID=8YFLogxK
http://www.scopus.com/inward/record.url?scp=85036479654&partnerID=8YFLogxK
Publikováno v:
Journal of Chemical Theory and Computation, 13(8), 3561-3574. American Chemical Society
We present a method for performing density-functional theory (DFT) calculations in which one or more Kohn-Sham orbitals are constrained to be localized on individual atoms. This constrained-orbital DFT (CO-DFT) approach can be used to tackle two prev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::853edabf4a68e572ac35492bd2a1a462
https://doi.org/10.1021/acs.jctc.7b00362
https://doi.org/10.1021/acs.jctc.7b00362