Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00174A, Paper

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Jan Fingerhut, Loïc Lecroart, Michael Schwarzer, Stefan Hörandl, Dmitriy Borodin, Alexander Kandratsenka, Alec M Wodtke, Daniel J Auerbach, Theofanis N. Kitsopoulos
Uncovering the role of reaction intermediates is crucial to developing an understanding of heterogeneous catalysis because catalytic reactions often involve complex networks of elementary steps. Unfortunately, the short lifetimes and...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00019F, Paper

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Amy Elizabeth Hutton, Jake Foster, James E. J. Sanders, Christopher J Taylor, Stefan A Hoffmann, Yizhi Cai, Sarah Louise Lovelock, Anthony Green
Genetic code expansion has emerged as a powerful tool in enzyme design and engineering, providing new insights into sophisticated catalytic mechanisms and enabling the development of enzymes with new catalytic...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00041B, Paper

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  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Hong-Zhou Ye, Timothy C. Berkelbach
The adsorption of CO on the surface of MgO has long been a model problem in surface chemistry. Here, we report periodic Gaussian-based calculations for this problem using second-order perturbation...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00012A, Paper

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Anne Hockmann, Florian Ackermann, Diddo Diddens, Isidora Cekic-Laskovic, Monika Schönhoff
The transport properties and the underlying coordination structure of a ternary electrolyte consisting of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI), 1,2-dimethoxyethane (DME), and 1,3-dioxolane (DOL) is studied over a wide concentration range up...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00014E, Paper

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Ximena Lopez-Lorenzo, David Hueting, Eliott Bosshard, Per-Olof Syrén
More than 8 bton of plastic waste has been generated posing severe environmental consequences and health risks. Due to prolonged exposure, microplastic particles are found in human blood and other...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00016A, Paper

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Lisa Kennedy, Mariyah Sajjad, Michael Herrera, Peter Szieber, Natasza Rybacka, Yinan Zhao, Craig Steven, Zainab Alghamdi, Ivan Zlatkov, Julie Hagen, Chloe Lauder, Natalie Rudolfova, Magdalena Abramiuk, Karolina Bolimowska, Daniel Joynt, Angelica Lucero, Gustavo Perez Ortiz, Annamaria Lilienkampf, Alison N Hulme, Dominic James Campopiano
Organic synthesis often requires multiple steps where a functional group (FG) is concealed from reaction by a protecting group (PG). Common PGs include N-carbobenzyloxy (Cbz or Z) of amines and...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00018H, Paper

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Dariia Yehorova, Rory M. Crean, Peter M Kasson, Shina Caroline Lynn Kamerlin
Noncovalent interaction networks provide a powerful means to represent and analyze protein structure. Such networks can represent both static structures and dynamic conformational ensembles. We have recently developed two tools...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00180F, Paper

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Jérôme Loreau, Ad van der Avoird
While the rotational energy transfer of ammonia by rare gas atoms and hydrogen molecules has been the focus of many studies, little is known about its vibrational relaxation, even though...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00008K, Paper

Fengjie Jiang, Zihan Wang, Zhiqi Cong
Cytochrome P450 monooxygenases (P450s) are well recognized as versatile bio-oxidation catalysts. However, the catalytic functions of P450s are highly dependent on NAD(P)H and the redox partner proteins. Our group has...
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Faraday Discuss., 2023, 245,446-466
DOI: 10.1039/D3FD00024A, Paper

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Emily R. Ingman, Domantas Laurinavicius, Jin Zhang, Johanna G. M. Schrauwen, Britta Redlich, Jennifer A. Noble, Sergio Ioppolo, Martin R. S. McCoustra, Wendy A. Brown
Resonant excitation of CO and water-containing ices with a free-electron laser leads to CO photodesorption.
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