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: Optimizing spatial pore-size and porosity distributions of adsorbents for enhanced adsorption and desorption performance Year: 2015
Authors (6):
G. Ye, X. Duan, K. Zhu, X. Zhou, M. -O. Coppens, W. Yuan
Publisher: Chemical Engineering Science
DOI: 10.1016/j.ces.2015.04.024 article-journal
Themes: Design (2015)
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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: 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: Designer Titania-Supported Au–Pd Nanoparticles for Efficient Photocatalytic Hydrogen Production Year: 2014
Authors (16):
R. Su, R. Tiruvalam, A. J. Logsdail, Q. He, C. A. Downing, M. T. Jensen, N. Dimitratos, L. Kesavan, P. P. Wells, R. Bechstein, H. H. Jensen, S. Wendt, C. R. A. .Catlow, C. J. Kiely, G. J. Hutchings, F. Besenbacher
Publisher: ACS Nano
DOI: 10.1021/nn500963m article-journal
Themes: Environment (2014)
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Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
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Title: Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization Year: 2019
Authors (11):
N. Abdullah, M. Briceno de Gutierrez, C. R. A. .Catlow, P. Collier, D. Decarolis, N. Dimitratos, S. Hayama, S. M. Rogers, G. F. Tierney, A. Villa, P. P. Wells
Publisher: Nanoscale Advances
DOI: 10.1039/c9na00159j article-journal
Themes: Design (2019)
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Title: Nanoporous Carbon: Liquid-Free Synthesis and Geometry-Dependent Catalytic Performance Year: 2019
Authors (16):
D. J. L. .Brett, J. Feng, G. He, Q. He, L. Kang, S. øR. Kegnaes, J. Knossalla, J. Mielby, Y. Qin, F. Schüth, A. -C. Swertz, B. Wang, F. R. Wang, Q. Wang, J. Xie, R. Xu
Publisher: ACS Nano
DOI: 10.1021/acsnano.8b09399 article-journal
Themes: Collaborations (2019), BAG (2019)
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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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