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: Catalysts for CO2/epoxide ring-opening copolymerization Year: 2016
Authors (3):
G. Trott, P. K. Saini, C. K. Williams
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2015.0085 article-journal
Themes: Transformations (2016)
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Title: Light-driven post-translational installation of reactive protein side chains Year: 2020
Authors (19):
B. Josephson, C. Fehl, P. G. Isenegger, S. Nadal, T. H. Wright, A. W. J. .Poh, B. J. Bower, A. M. Giltrap, L. Chen, C. Batchelor-McAuley, G. Roper, O. Arisa, J. B. I. .Sap, A. Kawamura, A. J. Baldwin, S. Mohammed, R. G. Compton, V. Gouverneur, B. G. Davis
Publisher: Nature
DOI: 10.1038/s41586-020-2733-7 article-journal
Themes: Transformations (2020)
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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: 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: 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: NMR relaxation time measurements of solvent effects in an organocatalysed asymmetric aldol reaction over silica SBA-15 supported proline Year: 2022
Authors (6):
G. Di Carmine, L. Forster, S. Wang, C. M. A. .Parlett, A. Carlone, C. D'Agostino
Publisher: Reaction Chemistry & Engineering
DOI: 10.1039/d1re00471a journal-article
Themes: Core (2022)
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Title: Ni/support-CaO bifunctional combined materials for integrated CO2 capture and reverse water-gas shift reaction: Influence of different supports Year: 2022
Authors (6):
S. Sun, C. Zhang, S. Guan, S. Xu, P. T. Williams, C. Wu
Publisher: Separation and Purification Technology
DOI: 10.1016/j.seppur.2022.121604 journal-article
Themes: Core (2022)
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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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