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: Selective photocatalytic oxidation of benzene for the synthesis of phenol using engineered Au–Pd alloy nanoparticles supported on titanium dioxide Year: 2014
Authors (11):
R. Su, L. Kesavan, M. M. Jensen, R. Tiruvalam, Q. He, N. Dimitratos, S. Wendt, M. Glasius, C. J. Kiely, G. J. Hutchings, F. Besenbacher
Publisher: Chemistry Communications
DOI: 10.1039/c4cc04024d article-journal
Themes: Design (2014)
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Title: Catalytic Response and Stability of Nickel/Alumina for the Hydrogenation of 5-Hydroxymethylfurfural in Water Year: 2016
Authors (6):
N. Perret, A. Grigoropoulos, M. Zanella, T. D. Manning, J. B. Claridge, M. J. Rosseinsky
Publisher: ChemSusChem
DOI: 10.1002/cssc.201501225 article-journal
Themes: Transformations (2016)
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Title: Oxidation of Aliphatic Alcohols by Using Precious Metals Supported on Hydrotalcite under Solvent- and Base-Free Conditions Year: 2015
Authors (9):
Y. He, J. Feng, G. L. Brett, Y. Liu, P. J. Miedziak, J. K. Edwards, D. W. Knight, D. Li, G. J. Hutchings
Publisher: ChemSusChem
DOI: 10.1002/cssc.201500503 article-journal
Themes: Environment (2016)
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Title: Selective Oxidation ofn-Butanol Using Gold-Palladium Supported Nanoparticles Under Base-Free Conditions Year: 2014
Authors (7):
I. Gandarias, P. J. Miedziak, E. Nowicka, M. Douthwaite, D. J. Morgan, G. J. Hutchings, S. H. Taylor
Publisher: ChemSusChem
DOI: 10.1002/cssc.201403190 article-journal
Themes: Environment (2015)
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Title: Molecular Basis of Class A β-Lactamase Inhibition by Relebactam Year: 2019
Authors (7):
J. üR. Brem, P. Hinchliffe, P. A. Lang, A. J. Mulholland, C. J. Schofield, J. Spencer, C. L. Tooke
Publisher: Antimicrobial Agents and Chemotherapy
DOI: 10.1128/aac.00564-19 article-journal
Themes: Biocatalysis (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: Chemo-enzymatic routes towards the synthesis of bio-based monomers and polymers Year: 2019
Authors (3):
S. T. Ahmed, N. G. H. .Leferink, N. S. Scrutton
Publisher: Molecular Catalysis
DOI: 10.1016/j.mcat.2019.01.036 article-journal
Themes: Biocatalysis (2019)
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Title: Design of Highly Selective Platinum Nanoparticle Catalysts for the Aerobic Oxidation of KA-Oil using Continuous-Flow Chemistry Year: 2016
Authors (9):
A. M. Gill, C. S. Hinde, R. K. Leary, M. E. Potter, A. Jouve, P. P. Wells, P. A. Midgley, J. M. Thomas, R. Raja
Publisher: ChemSusChem
DOI: 10.1002/cssc.201501264 journal-article
Themes: BAG (2016), Design (2016)
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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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