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: Designing metal nanoparticles for catalysis Year: 2017
Authors (1):
S. M. Rogers
Publisher: UCL Discovery
DOI: phd-thesis
Themes: BAG (2017), Theses (2017)
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Title: Asymmetric Construction of Alkaloids by Employing a Key ω‐Transaminase Cascade Year: 2020
Authors (6):
F. Taday, J. Ryan, S. P. Argent, V. Caprio, B. Maciá, E. O'Reilly
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.202000067 article-journal
Themes: Biocatalysis (2020)
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Title: The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode" Year: 2020
Authors (10):
T. M. M. .Heenan, A. Vamvakeros, C. Tan, D. P. Finegan, S. R. Daemi, S. D. M. .Jacques, A. M. Beale, M. Di Michiel, D. J. L. .Brett, P. R. Shearing
Publisher: Crystals
DOI: 10.3390/cryst10100941 article-journal
Themes: Core (2021)
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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: Integrated CO2 capture and methanation on Ru/CeO2-MgO combined materials: Morphology effect from CeO2 support Year: 2022
Authors (5):
S. Sun, H. Sun, S. Guan, S. Xu, C. Wu
Publisher: Fuel
DOI: 10.1016/j.fuel.2022.123420 journal-article
Themes: Core (2022)
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Title: Photocatalytic Reforming of Biomass: What Role Will the Technology Play in Future Energy Systems Year: 2022
Authors (9):
N. Skillen, H. Daly, L. Lan, M. Aljohani, C. W. J. .Murnaghan, X. Fan, C. Hardacre, G. N. Sheldrake, P. K. J. .Robertson
Publisher: Topics in Current Chemistry
DOI: 10.1007/s41061-022-00391-9 journal-article
Themes: Water-Energy (2022)
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Title: Green synthesis of glycerol carbonate via transesterification of glycerol using mechanochemically prepared sodium aluminate catalysts Year: 2022
Authors (3):
J. Keogh, G. Deshmukh, H. G. Manyar
Publisher: Fuel
DOI: 10.1016/j.fuel.2021.122484 journal-article
Themes: Water-Energy (2022)
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Title: Kinetic Modeling of Hydrocracking of Low-Density Polyethylene in a Batch Reactor Year: 2021
Authors (4):
A. Bin Jumah, M. Malekshahian, A. A. Tedstone, A. A. Garforth
Publisher: ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.1c06231 journal-article
Themes: Circular Economy (2021)
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