Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
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Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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Title: Probing pore blocking effects on multiphase reactions within porous catalyst particles using a discrete model Year: 2015
Authors (4):
G. Ye, X. Zhou, W. Yuan, M. -O. Coppens
Publisher: AIChE Journal
DOI: 10.1002/aic.15095 article-journal
Themes: Design (2016)
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Title: Influence of catalyst pore network structure on the hysteresis of multiphase reactions Year: 2016
Authors (5):
G. Ye, X. Zhou, J. Zhou, W. Yuan, M. -O. Coppens
Publisher: AIChE Journal
DOI: 10.1002/aic.15415 article-journal
Themes: Design (2016)
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Title: Light alkane oxidation using catalysts prepared by chemical vapour impregnation: tuning alcohol selectivity through catalyst pre-treatment Year: 2014
Authors (12):
M. M. Forde, R. D. Armstrong, R. McVicker, P. P. Wells, N. Dimitratos, Q. He, L. Lu, R. L. Jenkins, C. Hammond, J. A. Lopez-Sanchez, C. J. Kiely, G. J. Hutchings
Publisher: Chemical Science
DOI: 10.1039/c4sc00545g article-journal
Themes: Design (2014), BAG (2014)
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Title: Base-free glucose oxidation using air with supported gold catalysts Year: 2014
Authors (11):
P. J. Miedziak, H. Alshammari, S. A. Kondrat, T. J. Clarke, T. E. Davies, M. Morad, D. J. Morgan, D. J. Willock, D. W. Knight, S. H. Taylor, G. J. Hutchings
Publisher: Green Chemistry
DOI: 10.1039/c4gc00087k article-journal
Themes: Energy (2014)
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Title: Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF Year: 2016
Authors (11):
A. Grigoropoulos, G. F. S. .Whitehead, N. Perret, A. P. Katsoulidis, F. M. Chadwick, R. P. Davies, A. Haynes, L. Brammer, A. S. Weller, J. Xiao, M. J. Rosseinsky
Publisher: Chemical Science
DOI: 10.1039/c5sc03494a article-journal
Themes: Transformations (2016)
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Title: A new class of Cu/ZnO catalysts derived from zincian georgeite precursors prepared by co-precipitation Year: 2017
Authors (13):
P. J. Smith, S. A. Kondrat, P. A. Chater, B. R. Yeo, G. M. Shaw, L. Lu, J. K. Bartley, S. H. Taylor, M. S. Spencer, C. J. Kiely, G. J. Kelly, C. W. Park, G. J. Hutchings
Publisher: Chemical Science
DOI: 10.1039/c6sc04130b article-journal
Themes: Environment (2017)
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Title: Intensification and deactivation of Sn-beta investigated in the continuous regime Year: 2016
Authors (4):
D. Padovan, C. Parsons, M. Simplicio Grasina, C. Hammond
Publisher: Green Chemistry
DOI: 10.1039/c6gc01288d article-journal
Themes: Design (2016)
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Title: Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes Year: 2018
Authors (12):
P. L. Arnold, R. W. F. .Kerr, C. Weetman, S. R. Docherty, J. Rieb, F. L. Cruickshank, Q. Wang, C. Jandl, M. W. McMullon, A. Pöthig, F. E. Kühn, A. D. Smith
Publisher: Chemical Science
DOI: 10.1039/c8sc03312a article-journal
Themes: Transformations (2018)
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