Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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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: Mechanistic Aspects of Hydrodeoxygenation of p-Methylguaiacol over Rh/Silica and Pt/Silica Year: 2018
Authors (7):
F. P. Bouxin, X. Zhang, I. N. Kings, A. F. Lee, M. J. .H. .Simmons, K. Wilson, S. D. Jackson
Publisher: Organic Process Research & Development
DOI: 10.1021/acs.oprd.8b00211 article-journal
Themes: Energy (2018)
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Title: The Methyl Torsion in Unsaturated Compounds Year: 2020
Authors (6):
A. Zachariou, A. P. Hawkins, P. Collier, R. F. Howe, D. Lennon, S. F. Parker
Publisher: ACS Omega
DOI: 10.1021/acsomega.9b03351 article-journal
Themes: Core (2020), Design (2020)
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Title: Onset of Propene Oligomerization Reactivity in ZSM-5 Studied by Inelastic Neutron Scattering Spectroscopy Year: 2020
Authors (7):
A. P. Hawkins, A. Zachariou, S. F. Parker, P. Collier, I. P. Silverwood, R. F. Howe, D. Lennon
Publisher: ACS Omega
DOI: 10.1021/acsomega.9b03503 article-journal
Themes: Design (2020)
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Title: Quantitative production of butenes from biomass-derived γ-valerolactone catalysed by hetero-atomic MFI zeolite Year: 2020
Authors (17):
L. Lin, A. M. Sheveleva, I. da Silva, C. M. A. .Parlett, Z. Tang, Y. Liu, M. Fan, X. Han, J. H. Carter, F. Tuna, E. J. L. .McInnes, Y. Cheng, L. L. Daemen, S. Rudić, A. J. Ramirez-Cuesta, C. C. Tang, S. Yang
Publisher: Nature Materials
DOI: 10.1038/s41563-019-0562-6 article-journal
Themes: BAG (2020)
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Title: Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts Year: 2020
Authors (12):
I. Lezcano-González, E. Campbell, A. E. . J. .Hoffman, M. Bocus, I. V. Sazanovich, M. Towrie, M. Agote-Arán, E. K. Gibson, A. G. Greenaway, K. De Wispelaere, V. Van Speybroeck, A. M. Beale
Publisher: Nature Materials
DOI: 10.1038/s41563-020-0800-y article-journal
Themes: Featured (2020), Design (2020)
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Title: Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ‐13 Crystals Year: 2021
Authors (9):
N. Omori, A. Candeo, S. Mosca, I. Lezcano-González, I. K. Robinson, L. Li, A. G. Greenaway, P. Collier, A. M. Beale
Publisher: Angewandte Chemie
DOI: 10.1002/ange.202015016 article-journal
Themes: Design (2021)
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Title: Improving Photocatalytic Energy Conversion via NAD(P)H Year: 2020
Authors (5):
W. Jones, J. W. H. .Burnett, J. Shi, R. F. Howe, X. Wang
Publisher: Joule
DOI: 10.1016/j.joule.2020.07.024 journal-article
Themes: Water-Energy (2020)
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Title: Direct Synthesis of Multiplexed Metal‐Nanowire‐Based Devices by Using Carbon Nanotubes as Vector Templates Year: 2019
Authors (16):
P. Clément, X. Xu, C. T. Stoppiello, G. A. Rance, A. Attanzio, J. N. O'Shea, R. H. Temperton, A. N. Khlobystov, K. R. J. .Lovelock, J. M. Seymour, R. M. Fogarty, A. Baker, R. A. Bourne, B. Hall, T. W. Chamberlain, M. Palma
Publisher: Angewandte Chemie
DOI: 10.1002/ange.201902857 journal-article
Themes: Energy (2019)
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