Title: Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria Year: 2020
Authors (26):
L. Kang, B. Wang, Q. Bing, M. Zalibera, R. Büchel, R. Xu, Q. Wang, Y. Liu, D. Gianolio, C. C. Tang, E. K. Gibson, M. Danaie, C. Allen, K. Wu, S. Marlow, L. -D. Sun, Q. He, S. Guan, A. Savitsky, J. J. Velasco-Vélez, J. Callison, C. W. M. .Kay, S. E. Pratsinis, W. Lubitz, J. -Y. Liu, F. R. Wang
Publisher: Nature Communications
DOI: 10.1038/s41467-020-17852-8 article-journal
Themes: BAG (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: Control of zeolite microenvironment for propene synthesis from methanol Year: 2021
Authors (22):
L. Lin, M. Fan, A. M. Sheveleva, X. Han, Z. Tang, J. H. Carter, I. da Silva, C. M. A. .Parlett, F. Tuna, E. J. L. .McInnes, G. Sastre, S. Rudić, H. Cavaye, S. F. Parker, Y. Cheng, L. L. Daemen, A. J. Ramirez-Cuesta, M. P. Attfield, Y. Liu, C. C. Tang, B. Han, S. Yang
Publisher: Nature Communications
DOI: 10.1038/s41467-021-21062-1 article-journal
Themes: Core (2021)
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Title: Easy access to oxygenated block polymers via switchable catalysis Year: 2019
Authors (4):
T. Stößer, G. S. Sulley, G. L. Gregory, C. K. Williams
Publisher: Nature Communications
DOI: 10.1038/s41467-019-10481-w journal-article
Themes: Transformations (2019)
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Title: Comprehensive Vibrational Spectroscopic Characterization of Nylon-6 Precursors for Precise Tracking of the Beckmann Rearrangement Year: 2018
Authors (4):
S. Chapman, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201800721 journal-article
Themes: Design (2018)
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Title: Structural basis of terephthalate recognition by solute binding protein TphC Year: 2021
Authors (10):
T. Gautom, D. Dheeman, C. Levy, T. Butterfield, G. Alvarez Gonzalez, P. Le Roy, L. Caiger, K. Fisher, L. Johannissen, N. Dixon
Publisher: Nature Communications
DOI: 10.1038/s41467-021-26508-0 journal-article
Themes: Biocatalysis (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: Chemical looping dry reforming of methane using mixed oxides of iron and cerium: Operation window Year: 2021
Authors (2):
F. R. García-García, I. S. Metcalfe
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106356 journal-article
Themes: Energy (2021)
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Title: Designing a data infrastructure for catalysis science aligned to FAIR data principles Year: 2022
Authors (5):
A. Nieva de la Hidalga, J. B. M. .Goodall, C. Anyika, B. Matthews, C. R. A. .Catlow
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106384 journal-article
Themes: Core (2022)
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Title: Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds Year: 2022
Authors (4):
M. Delarmelina, J. W. D. M. Carneiro, C. R. A. .Catlow, M. Bühl
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106385 journal-article
Themes: Water-Energy (2022)
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