Title: Progress towards five dimensional diffraction imaging of functional materials under process conditions Year: 2014
Authors (4):
A. M. Beale, S. D. M. .Jacques, E. K. Gibson, M. Di Michiel
Publisher: Coordination Chemistry Reviews
DOI: 10.1016/j.ccr.2014.05.008 article-journal
Themes: Design (2014)
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Title: Utilizing Benign Oxidants for Selective Aerobic Oxidations Using Heterogenized Platinum Nanoparticle Catalysts Year: 2015
Authors (5):
C. S. Hinde, A. M. Gill, P. P. Wells, T. S. . A. Hor, R. Raja
Publisher: ChemPlusChem
DOI: 10.1002/cplu.201500195 article-journal
Themes: Design (2015), BAG (2015)
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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: Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality Year: 2019
Authors (7):
S. J. Bennie, K. E. Ranaghan, H. M. Deeks, H. E. Goldsmith, M. B. O’Connor, A. J. Mulholland, D. R. Glowacki
Publisher: Journal of Chemical Education
DOI: 10.1021/acs.jchemed.9b00181 journal-article
Themes: Biocatalysis (2019)
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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: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity Year: 2021
Authors (11):
M. Panchal, J. Callison, V. Skukauskas, D. Gianolio, G. Cibin, A. P. E. .York, M. E. Schuster, T. I. Hyde, P. Collier, C. R. A. .Catlow, E. K. Gibson
Publisher: Journal of Physics: Condensed Matter
DOI: 10.1088/1361-648x/abfe16 article-journal
Themes: Core (2021)
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Title: Preface to the JPCM special issue on intense radiation sources in condensed matter and materials physics Year: 2021
Authors (4):
P. F. McMillan, M. C. Wilding, C. R. A. .Catlow, W. Bras
Publisher: Journal of Physics: Condensed Matter
DOI: 10.1088/1361-648x/ac1301 journal-article
Themes: Core (2021)
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Title: A Workflow Demonstrator for Processing Catalysis Research Data Year: 2022
Authors (8):
A. Nieva de la Hidalga, D. Decarolis, S. Xu, S. K. Matam, W. Y. H. Enciso, J. B. M. .Goodall, B. Matthews, C. R. A. .Catlow
Publisher: Data Intelligence
DOI: 10.1162/dint_a_00143 journal-article
Themes: Core (2022), New Catalysts (2022)
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Title: Kinetic Analysis of Glycerol Esterification Using Tin Exchanged Tungstophosphoric Acid on K-10 Year: 2022
Authors (4):
J. Keogh, C. Jeffrey, M. S. Tiwari, H. G. Manyar
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.2c01930 journal-article
Themes: Water-Energy (2022)
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Title: Phosphorus Removal from Dirty Farmyard Water by Activated Anaerobic-Digestion-Derived Biochar Year: 2022
Authors (5):
C. Zhang, S. Sun, S. Xu, C. Johnston, C. Wu
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.2c02668 journal-article
Themes: Core (2022)
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