Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00010B, Paper

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Francesca Valetti, Simone Morra, Lisa Barbieri, Sabrina Dezzani, Alessandro Ratto, Gianluca Catucci, Sheila J. Sadeghi, Gianfranco Gilardi
The use of enzymes to generate hydrogen, instead of using rare metal catalysts, is an exciting area of study in modern biochemistry and biotechnology, as well as biocatalysis driven by...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00161J, Paper

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

Andras B. Nacsa, Csenge Tokaji, Gabor Czako
We develop a coupled-cluster full-dimensional global potential energy surface (PES) for the OH− + CH3CH2Cl reactive system, using the ROBOSURFER program package, which automatically samples configurations along PES-based trajectories as...
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Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD90009J, Discussion

Catherine M. Aitchison, Kunio Awaga, Przemyslaw Data, Tsuyohiko Fujigaya, Tomoko Fujino, Aiko Fukazawa, Xugang Guo, Martin Heeney, Yutaka Ie, Sakura Nakagawa, Masakazu Nakamura, Nako Nakatsuka, Hiroyuki Nishide, Bob C. Schroeder, Peter Skabara, Manpreet Singh, Yosuke Tani, Yuya Tanaka, Youichi Tsuchiya, Taro Uematsu, Yumi Yakiyama
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Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD90006E, Discussion

Catherine M. Aitchison, Ken Albrecht, Kunio Awaga, Joseph Cameron, Przemyslaw Data, Florian Glöcklhofer, Xugang Guo, Martin Heeney, Zachary M. Hudson, Yutaka Ie, Christine K. Luscombe, Takumi Matsuo, Takashi Nakanishi, Nako Nakatsuka, Hiroyuki Nishide, Yui Sasaki, Bob C. Schroeder, Manpreet Singh, Peter Skabara, Youhei Takeda, Yosuke Tani, Luisa Torsi, Youichi Tsuchiya, Taro Uematsu, Deepak Yadav, Nobuhiro Yanai
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00004H, Paper

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Janko Čivić, Neil Rory Mcfarlane, Joleen Masschelein, Jeremy Harvey
Cytochrome P450 monooxygenases are an extensive and unique class of enzymes, which can regio- and stereo-selectively functionalise hydrocarbons by way of oxidation reactions. These enzymes are naturally occurring but have...
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00180F, Paper

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

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/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/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/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/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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