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3 results in Authors: Beatriz Mourino

Theoretical and Computational Chemistry

In search of Covalent Organic Framework photocatalysts: A DFT-based screening approach

Beatriz Mouriño, Kevin Maik Jablonka, Andres Ortega-Guerrero, Berend Smit

Version 2 posted 06 February 2023

550

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Theoretical and Computational Chemistry

Assessment of Fine-Tuned Large Language Models for Real-World Chemistry and Material Science Applications

Joren van Herck, Maria Victoria Gil, Kevin Maik Jablonka, Alex Abrudan, Andy Anker, Mehrdad Asgari, Ben Blaiszik, Leander Choudhury, Clemence Corminboeuf, Hilal Daglar, Ian T. Foster, Susana Garcia, Matthew Garvin, Guillaume Godin, Lydia L. Good, Jianan Gu, Noemie Xiao Hu, Xin Jin, Tanja Junkers, Seda Keskin, Tuomas P.J. Knowles, Ruben Laplaza, Sauradeep Majumdar, Hossein Mashhadimoslem, Ruaraidh D. McIntosh, Seyed Mohamad Moosavi, Beatriz Mourino, Francesca Nerli, Covadonga Pevida, Neda Poudineh, Mahyar Rajabi-Kochi, Kadi L. Saar, Fahimeh H. Saboor, Morteza Sagharichiha, KJ Schmidt, Jiale Shi, Dennis Svatunek, Marco Taddei, Igor Tetko, Domonkos Tolnai, Sahar Vahdatifar, Jonathan Whitmer, Florian Wieland, Regine Willumeit-Romer, Andreas Zuttel, Berend Smit

Version 1 posted 31 July 2024

897

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Inorganic Chemistry

Anisotropic Node Distortions in Amorphous MOFs: Low Valent Zr Sites as Catalytic Hotspots

Till Schertenleib, Mehrdad Asgari, Beatriz Mouriño, Vikram V. Karve, Timo M. O. Felder, Dragos Stoian, Volodymyr Bon, Jian Hao, Andres Ortega-Guerrero, Emad Oveisi, Kumar Varoon Agrawal, Berend Smit, Stefan Kaskel, Simon J.L. Billinge, Wendy L. Queen

Version 1 posted 28 November 2024

242

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