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: Catalyst design in oxidation chemistry from KMnO4 to artificial metalloenzymes Year: 2014
Authors (5):
M. V. Doble, A. C. C. .Ward, P. J. Deuss, A. G. Jarvis, P. C. J. .Kamer
Publisher: Bioorganic & Medicinal Chemistry
DOI: 10.1016/j.bmc.2014.07.002 article-journal
Themes: Environment (2015)
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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: Concise synthesis of artemisinin from a farnesyl diphosphate analogue Year: 2018
Authors (4):
X. Tang, M. Demiray, T. Wirth, R. K. Allemann
Publisher: Bioorganic & Medicinal Chemistry
DOI: 10.1016/j.bmc.2017.03.068 article-journal
Themes: Biocatalysis (2018)
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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: 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: Robust synthesis of epoxy resin-filled microcapsules for application to self-healing materials Year: 2016
Authors (3):
P. A. Bolimowski, I. P. Bond, D. F. Wass
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2015.0083 article-journal
Themes: Environment (2016)
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