Title: Study and Modeling of the Kinetics of the Photocatalytic Destruction of Stearic Acid Islands on TiO2 Films Year: 2023
Authors (3):
S. Alofi, C. O'Rourke, A. Mills
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.3c00952 journal-article
Themes: Water-Energy (2023)
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Title: Free energy along drug-protein binding pathways interactively sampled in virtual reality Year: 2023
Authors (6):
H. M. Deeks, K. Zinovjev, J. Barnoud, A. J. Mulholland, M. W. van der Kamp, D. R. Glowacki
Publisher: Scientific Reports
DOI: 10.1038/s41598-023-43523-x journal-article
Themes: New Catalysts (2023), Water-Energy (2023), Circular Economy (2023), Core (2023)
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Title: Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study Year: 2022
Authors (6):
F. Silveri, M. G. Quesne, F. Viñes, F. Illas, C. R. A. .Catlow, N. H. de Leeuw
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.1c10180 journal-article
Themes: New Catalysts (2022)
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Title: Synthesis and characterisation of polyamides based on 2,5-furandicarboxylic acid as a sustainable building block for engineering plastics Year: 2022
Authors (5):
M. Kamran, M. G. Davidson, S. de Vos, V. Tsanaktsis, B. Yeniad
Publisher: Polymer Chemistry
DOI: 10.1039/d2py00189f journal-article
Themes: Circular Economy (2022)
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Title: Ni/support-CaO bifunctional combined materials for integrated CO2 capture and reverse water-gas shift reaction: Influence of different supports Year: 2022
Authors (6):
S. Sun, C. Zhang, S. Guan, S. Xu, P. T. Williams, C. Wu
Publisher: Separation and Purification Technology
DOI: 10.1016/j.seppur.2022.121604 journal-article
Themes: Core (2022)
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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: 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: Operando Studies of Aerosol-Assisted Sol–Gel Catalyst Synthesis via Combined Optical Trapping and Raman Spectroscopy Year: 2021
Authors (5):
G. Davies, J. Driver, A. Ward, L. Negahdar, J. McGregor
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.1c07517 journal-article
Themes: New Catalysts (2021)
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Title: Role of Sulfation of Zirconia Catalysts in Vapor Phase Ketonization of Acetic Acid Year: 2021
Authors (5):
M. Delarmelina, G. Deshmukh, A. Goguet, C. R. A. .Catlow, H. G. Manyar
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.1c06920 journal-article
Themes: Water-Energy (2021)
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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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