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)
|
Title: Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon Year: 2018
Authors (17):
C. Genovese, M. E. Schuster, E. K. Gibson, D. Gianolio, V. Posligua, R. Grau-Crespo, G. Cibin, P. P. Wells, D. Garai, V. Solokha, S. Krick Calderon, J. J. Velasco-Vélez, C. Ampelli, S. Perathoner, G. Held, G. Centi, R. Arrigo
Publisher: Nature Communications
DOI: 10.1038/s41467-018-03138-7 article-journal
Themes: Design (2018), BAG (2018)
|
Title: QENS study of methane diffusion in Mo/H-ZSM-5 used for the methane dehydroaromatisation reaction Year: 2018
Authors (5):
I. P. Silverwood, M. A. Arán, I. Lezcano-González, A. B. Kroner, A. M. Beale
Publisher: AIP Conference Proceedings
DOI: 10.1063/1.5039294 paper-conference
Themes: Design (2018)
|
Title: Application of Inelastic Neutron Scattering to the Methanol-to-Gasoline Reaction Over a ZSM-5 Catalyst Year: 2016
Authors (5):
R. F. Howe, J. McGregor, S. F. Parker, P. Collier, D. Lennon
Publisher: Catalysis Letters
DOI: 10.1007/s10562-016-1742-5 article-journal
Themes: Design (2016)
|
Title: Heterogeneously Catalyzed Hydrothermal Processing of C5–C6 Sugars Year: 2016
Authors (3):
X. Zhang, K. Wilson, A. F. Lee
Publisher: Chemical Reviews
DOI: 10.1021/acs.chemrev.6b00311 article-journal
Themes: Energy (2016), Transformations (2016)
|
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)
|
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)
|
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)
|
Title: Shape-persistent porous organic cage supported palladium nanoparticles as heterogeneous catalytic materials Year: 2019
Authors (10):
S. K. Beaumont, H. J. Cox, J. S. O. .Evans, E. K. Gibson, S. Jiang, H. Liu, I. S. Metcalfe, B. J. Murdoch, E. I. Papaioannou, C. Tang
Publisher: Nanoscale
DOI: 10.1039/c9nr04553h article-journal
Themes: Design (2019), BAG (2019)
|
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)
|