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: Neutron Scattering - Applications in Biology, Chemistry, and Materials Science Year: 2017
Authors (2):
F. Fernandez-Alonso, D. L. Price
Publisher: Experimental Methods in the Physical Sciences
DOI: 10.1016/b978-0-12-805324-9.09989-1 book
Themes: Featured (2017)
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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: 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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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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Title: Combining quasielastic neutron scattering and molecular dynamics to study methane motions in ZSM-5 Year: 2022
Authors (9):
A. P. Hawkins, A. Zachariou, I. P. Silverwood, C. Yong, P. Collier, I. Todorov, R. F. Howe, S. F. Parker, D. Lennon
Publisher: The Journal of Chemical Physics Facebook
DOI: 10.1063/5.0123434 journal-article
Themes: Collaborations (2022), Design (2022)
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Title: Effect of Ball-Milling Pretreatment of Cellulose on Its Photoreforming for H2 Production Year: 2022
Authors (11):
L. Lan, H. Chen, D. Lee, S. Xu, N. Skillen, A. A. Tedstone, P. K. J. .Robertson, A. A. Garforth, H. Daly, C. Hardacre, X. Fan
Publisher: ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.1c07301 journal-article
Themes: Circular Economy (2022)
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Title: Supramolecular Ionic Liquid Gels for Enzyme Entrapment Year: 2023
Authors (6):
H. T. Imam, K. Hill, A. Reid, S. Mix, P. C. Marr, A. C. Marr
Publisher: ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.3c00517 journal-article
Themes: Water-Energy (2023)
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Title: Techno-Economic Assessment and Sensitivity Analysis of Glycerol Valorization to Biofuel Additives via Esterification Year: 2023
Authors (6):
K. Pandit, C. Jeffrey, J. Keogh, M. S. Tiwari, N. Artioli, H. G. Manyar
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.3c00964 journal-article
Themes: Water-Energy (2023)
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