Title: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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Title: Catalytic mechanism of the colistin resistance protein MCR-1 Year: 2021
Authors (7):
R. Suardíaz, E. Lythell, P. Hinchliffe, M. W. van der Kamp, J. Spencer, N. Fey, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/d0ob02566f journal-article
Themes: Biocatalysis (2021)
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Title: Structural basis of terephthalate recognition by solute binding protein TphC Year: 2021
Authors (10):
T. Gautom, D. Dheeman, C. W. Levy, T. Butterfield, G. Alvarez Gonzalez, P. Le Roy, L. Caiger, K. Fisher, L. Johannissen, N. Dixon
Publisher: Nature Communications
DOI: 10.1038/s41467-021-26508-0 journal-article
Themes: Biocatalysis (2021)
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Title: Blurring the boundary between homogenous and heterogeneous catalysis using palladium nanoclusters with dynamic surfaces Year: 2021
Authors (14):
I. Cano, A. Weilhard, C. Martin, J. Pinto, R. W. Lodge, A. R. Santos, G. A. Rance, E. H. Åhlgren, E. Jónsson, J. Yuan, Z. Y. Li, P. Licence, A. N. Khlobystov, J. Alves Fernandes
Publisher: Nature Communications
DOI: 10.1038/s41467-021-25263-6 journal-article
Themes: BAG (2021)
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Title: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst Year: 2022
Authors (11):
A. Zachariou, A. P. Hawkins, R. F. Howe, J. M. S. .Skakle, N. S. Barrow, P. Collier, D. W. Nye, R. I. Smith, G. B. G. .Stenning, S. F. Parker, D. Lennon
Publisher: ACS Physical Chemistry Au
DOI: 10.1021/acsphyschemau.2c00040 journal-article
Themes: Design (2022)
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Title: Computational investigation of the structures and energies of microporous materials Year: 2022
Authors (3):
E. Stacey, M. G. Quesne, C. R. A. .Catlow
Publisher: Elsevier Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2022.112382 journal-article
Themes: New Catalysts (2022)
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Title: Understanding catalytic synergy in dinuclear polymerization catalysts for sustainable polymers Year: 2023
Authors (6):
F. Fiorentini, W. T. Diment, A. C. Deacy, R. W. F. .Kerr, S. Faulkner, C. K. Williams
Publisher: Nature Communications
DOI: 10.1038/s41467-023-40284-z journal-article
Themes: Circular Economy (2023)
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Title: High performing and stable supported nano-alloys for the catalytic hydrogenation of levulinic acid to γ-valerolactone Year: 2015
Authors (7):
W. Luo, M. Sankar, A. M. Beale, Q. He, C. J. Kiely, P. C. A. .Bruijnincx, B. M. Weckhuysen
Publisher: Nature Communications
DOI: 10.1038/ncomms7540 journal-article
Themes: Design (2015)
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Title: Precious Metal Free Hydrogen Evolution Catalyst Design and Application Year: 2024
Authors (6):
A. A. Feidenhans’l, Y. N. Regmi, C. Wei, D. Xia, J. Kibsgaard, L. A. King
Publisher: Chemical Reviews
DOI: 10.1021/acs.chemrev.3c00712 journal-article
Themes: Water-Energy (2024)
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