April 2024

ExploTec / 2024 / April / 15
a-multiobjective-closed-loop-manner-against-independent-discovery-of-electrocatalysts-for-nitrogen-aid
April 15, 2024 In Unkategorisiert By Lance Kavalsky

A Multiobjective Closed-loop Manner Against Independent Discovery of Electrocatalysts for Nitrogen Aid

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D3DD00244F, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lance Kavalsky, Vinay I. Hegde, Bryce Meredig, Venkatasubramanian ViswanathanElectrocatalyst discovery is an inherently multiobjective challenge that can benefit from closed-loop approaches towards acceleration. However,

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repurposing-quantum-chemical-descriptor-datasets-for-on-the-fly-technology-of-informative-response-representations:-utility-to-hydrogen-atom-switch-reactions
April 15, 2024 In Unkategorisiert By Javier E. Alfonso-Ramos

Repurposing quantum chemical descriptor datasets for on-the-fly technology of informative response representations: utility to hydrogen atom switch reactions

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00043A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Javier E. Alfonso-Ramos, Rebecca M. Neeser, Thijs StuyverIn this work, we explore how existing datasets of quantum chemical properties can be repurposed to build

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prolonged-similarity-strategies-for-environment-friendly-information-mining-in-imaging-mass-spectrometry
April 15, 2024 In Unkategorisiert By Nicholas R. Ellin

Prolonged similarity strategies for environment friendly information mining in imaging mass spectrometry

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00165B, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Nicholas R. Ellin, Yingchan Guo, Ramón Alain Miranda-Quintana, Boone M. PrenticeExtended similarity indices facilitate processing complex IMS data and quickly finding correlations between multiple

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mlstructuremining:-a-device-finding-out-instrument-for-construction-id-from-x-ray-pair-distribution-purposes
April 15, 2024 In Unkategorisiert By Emil T. S. Kjaer

MLstructureMining: a device finding out instrument for construction id from X-ray pair distribution purposes

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00001C, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Emil T. S. Kjær, Andy S. Anker, Andrea Kirsch, Joakim Lajer, Olivia Aalling-Frederiksen, Simon J. L. Billinge, Kirsten M. Ø. JensenWe present MLstructureMining, a

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the-automatic-discovery-of-kinetic-fee-fashions-–-methodological-frameworks
April 15, 2024 In Unkategorisiert By Miguel Angel de Carvalho Servia

The automatic discovery of kinetic fee fashions – methodological frameworks

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00212H, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Miguel Ángel de Carvalho Servia, Ilya Orson Sandoval, King Kuok (Mimi) Hii, Klaus Hellgardt, Dongda Zhang, Ehecatl Antonio del Rio ChanonaTwo automated knowledge discovery

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April 15, 2024 In Unkategorisiert By Kiyou Shibata

A message passing neural community for predicting dipole second dependent core electron excitation spectra

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00021H, Communication Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kiyou Shibata, Teruyasu MizoguchiA message-passing neural network using a unit direction vector in addition to molecular graphs as the input satisfying invariance to space-inversion

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mechanistic-investigation-of-the-photocatalytic-task-of-pedot-for-aqueous-contaminant-removing:-the-function-of-iron-and-hydroxyl-radicals
April 15, 2024 In Unkategorisiert By Tahereh Jasemizad

Mechanistic investigation of the photocatalytic task of PEDOT for aqueous contaminant removing: the function of iron and hydroxyl radicals

Environ. Sci.: Water Res. Technol., 2024, Advance ArticleDOI: 10.1039/D3EW00910F, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Tahereh Jasemizad, Jenny Malmström, Lokesh P. PadhyeConducting polymers can be used as photocatalysts for aqueous contaminant remediation; however, if prepared using

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orange-peel-biochar/clay/titania-composites:-low-price,-top-efficiency,-and-easy-to-reuse-photocatalysts-for-the-degradation-of-tetracycline-in-water
April 15, 2024 In Unkategorisiert By MORENIKE OLUWABUNMI ADESINA

Orange peel biochar/clay/titania composites: low price, top efficiency, and easy-to-reuse photocatalysts for the degradation of tetracycline in water

Environ. Sci.: Water Res. Technol., 2024, Accepted ManuscriptDOI: 10.1039/D4EW00037D, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.MORENIKE OLUWABUNMI ADESINA, Moses Alfred, Harald Seitz, Katlen Brennenstuhl, Harshadrai M Rawel, Pablo Wessig, Jiyong Kim, Armin Wedel, Wouter

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2023-exceptional-papers-printed-within-the-environmental-science-journals-of-the-royal-society-of-chemistry
April 15, 2024 In Unkategorisiert By Zongwei Cai

2023 Exceptional Papers printed within the Environmental Science journals of the Royal Society of Chemistry

Environ. Sci.: Water Res. Technol., 2024, Advance ArticleDOI: 10.1039/D4EW90011A, EditorialZongwei Cai, Neil Donahue, Graham Gagnon, Kevin C. Jones, Célia Manaia, Elsie Sunderland, Peter J. VikeslandThe Editors-in-Chief of the Environmental Science journals introduce the Outstanding Papers of 2023.To cite this article before page numbers are assigned,

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