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: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol Year: 2022
Authors (5):
D. R. Inns, X. Pei, Z. Zhou, D. J. .M. .Irving, S. A. Kondrat
Publisher: Materials Chemistry Today
DOI: 10.1016/j.mtchem.2022.101230 journal-article
Themes: BAG (2022)
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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: 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: Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors Year: 2017
Authors (8):
M. R. Farrow, J. Buckeridge, T. Lazauskas, D. Mora-Fonz, D. O. Scanlon, C. R. A. .Catlow, S. M. Woodley, A. A. Sokol
Publisher: Physica Status Solidi (A)
DOI: 10.1002/pssa.201600440 article-journal
Themes: Design (2017)
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Title: Pd segregation to the surface of Au on Pd(111) and on Pd/TiO 2 (110) Year: 2017
Authors (3):
R. Sharpe, J. Counsell, M. Bowker
Publisher: Surface Science
DOI: 10.1016/j.susc.2016.10.005 article-journal
Themes: Energy (2017)
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Title: Adsorption of formate species on Cu(h,k,l) low index surfaces Year: 2016
Authors (8):
A. Chutia, I. P. Silverwood, M. R. Farrow, D. O. Scanlon, P. P. Wells, M. Bowker, S. F. Parker, C. R. A. .Catlow
Publisher: Surface Science
DOI: 10.1016/j.susc.2016.05.002 article-journal
Themes: Design (2016)
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Title: Nanoporous carbon/WO3 anodes for an enhanced water photooxidation Year: 2016
Authors (5):
A. Gomis-Berenguer, V. Celorrio, J. Iniesta, D. J. Fermín, C. O. Ania
Publisher: Carbon
DOI: 10.1016/j.carbon.2016.07.045 article-journal
Themes: Energy (2016)
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Title: XPS and STM studies of the oxidation of hydrogen chloride at Cu(100) surfaces Year: 2016
Authors (4):
H. Altass, A. F. Carley, P. R. Davies, R. J. Davies
Publisher: Surface Science
DOI: 10.1016/j.susc.2015.12.024 article-journal
Themes: Environment (2016)
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Title: The surface of iron molybdate catalysts used for the selective oxidation of methanol Year: 2016
Authors (13):
B. R. Yeo, G. J. F. .Pudge, K. G. Bugler, A. V. Rushby, S. A. Kondrat, J. K. Bartley, S. Golunski, S. H. Taylor, E. K. Gibson, P. P. Wells, C. Brookes, M. Bowker, G. J. Hutchings
Publisher: Surface Science
DOI: 10.1016/j.susc.2015.11.010 article-journal
Themes: Environment (2016)
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