Title: Monitoring dynamics of defects and single Fe atoms in N-functionalized few-layer graphene by in situ temperature programmed scanning transmission electron microscopy Year: 2022
Authors (5):
R. Arrigo, T. Sasaki, J. Callison, D. Gianolio, M. E. Schuster
Publisher: Journal of Energy Chemistry
DOI: 10.1016/j.jechem.2021.05.005 journal-article
Themes: Core (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: Support and gas environment effects on the preferential oxidation of carbon monoxide over Co3O4 catalysts studied in situ Year: 2021
Authors (8):
T. M. Nyathi, M. I. Fadlalla, N. Fischer, A. P. E. .York, E. J. Olivier, E. K. Gibson, P. P. Wells, M. Claeys
Publisher: Applied Catalysis B: Environmental
DOI: 10.1016/j.apcatb.2021.120450 journal-article
Themes: Core (2021), BAG (2021)
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Title: Understanding structure-activity relationships in highly active La promoted Ni catalysts for CO2 methanation Year: 2020
Authors (13):
P. H. Ho, G. S. de Luna, S. Angelucci, A. Canciani, W. Jones, D. Decarolis, F. Ospitali, E. R. Aguado, E. Rodríguez-Castellón, G. Fornasari, A. Vaccari, A. M. Beale, P. Benito
Publisher: Applied Catalysis B: Environmental
DOI: 10.1016/j.apcatb.2020.119256 article-journal
Themes: BAG (2020), Core (2020)
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Title: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible Year: 2020
Authors (2):
K. Zinovjev, M. W. van der Kamp
Publisher: Bioinformatics
DOI: 10.1093/bioinformatics/btaa643 article-journal
Themes: Biocatalysis (2020)
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Title: Mechanistic study of non-thermal plasma assisted CO2 hydrogenation over Ru supported on MgAl layered double hydroxide Year: 2020
Authors (12):
S. Xu, S. Chansai, Y. Shao, S. Xu, Y. -C. Wang, S. J. Haigh, Y. Mu, Y. Jiao, C. E. Stere, H. Chen, X. Fan, C. Hardacre
Publisher: Applied Catalysis B: Environmental
DOI: 10.1016/j.apcatb.2020.118752 journal-article
Themes: Water-Energy (2020)
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Title: Improving Photocatalytic Energy Conversion via NAD(P)H Year: 2020
Authors (5):
W. Jones, J. W. H. .Burnett, J. Shi, R. F. Howe, X. Wang
Publisher: Joule
DOI: 10.1016/j.joule.2020.07.024 journal-article
Themes: Water-Energy (2020)
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Title: Influence of TiO2 structural properties on photocatalytic hydrogen gas production Year: 2019
Authors (3):
H. Bahruji, M. Bowker, P. R. Davies
Publisher: Journal of Chemical Sciences
DOI: 10.1007/s12039-019-1608-7 article-journal
Themes: Design (2019), Environment (2019)
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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: Highly active Pt3Rh/C nanoparticles towards ethanol electrooxidation. Influence of the catalyst structure Year: 2019
Authors (8):
C. V. S. .Almeida, D. êN. S. Ferreira, H. Huang, A. C. Gaiotti, G. A. Camara, A. E. Russell, K. I. B. .Eguiluz, G. R. Salazar-Banda
Publisher: Applied Catalysis B: Environmental
DOI: 10.1016/j.apcatb.2019.04.078 article-journal
Themes: BAG (2019)
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