Title: Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations Year: 2023
Authors (5):
S. K. Matam, I. P. Silverwood, L. Boudjema, A. J. O'Malley, C. R. A. .Catlow
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2022.0335 journal-article
Themes: New Catalysts (2023)
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Title: Enhancing Hydrogen Evolution Electrocatalytic Performance in Neutral Media via Nitrogen and Iron Phosphide Interactions Year: 2021
Authors (11):
S. Zhao, R. Xie, L. Kang, M. Yang, X. He, W. Li, F. R. Wang, D. J. L. .Brett, G. He, G. Chai, I. P. Parkin
Publisher: Small Science
DOI: 10.1002/smsc.202100032 article-journal
Themes: BAG (2021)
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Title: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
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Title: Science to enable the circular economy Year: 2020
Authors (4):
C. R. A. .Catlow, M. G. Davidson, G. J. Hutchings, A. J. Mulholland
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0060 article-journal
Themes: Circular Economy (2020)
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Title: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors Year: 2020
Authors (3):
F. Morteo-Flores, J. Engel, A. Roldan
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0056 article-journal
Themes: Design (2020)
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Title: Methanol photo-reforming with water on pure titania for hydrogen production Year: 2020
Authors (2):
M. Bowker, W. Jones
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0058 article-journal
Themes: Environment (2020)
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Title: Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study Year: 2020
Authors (6):
A. J. O'Malley, V. García-Sakai, N. Dimitratos, W. Jones, C. R. A. .Catlow, S. F. Parker
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0063 article-journal
Themes: Circular Economy (2020)
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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: ‘Switch’ catalysis: from monomer mixtures to sequence-controlled block copolymers Year: 2017
Authors (4):
T. Stößer, T. T. . D. .Chen, Y. Zhu, C. K. Williams
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2017.0066 article-journal
Themes: Transformations (2018)
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Title: Towards microfluidic reactors for in situ synchrotron infrared studies Year: 2016
Authors (11):
I. P. Silverwood, N. Al-Rifai, E. Cao, D. J. .Nelson, A. Chutia, P. P. Wells, S. P. Nolan, M. D. Frogley, G. Cinque, A. Gavriilidis, C. R. A. .Catlow
Publisher: Review of Scientific Instruments
DOI: 10.1063/1.4941825 article-journal
Themes: Design (2016)
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