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Theoretical and Computational Chemistry

Working Paper

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

548

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Materials Chemistry

Working Paper

Post-synthetic Covalent Grafting of Amines to NH2-MOF for Post-Combustion Carbon Capture

ANITA JUSTIN, Jordi Espín, Miriam Pougin, Dragos Stoian, Till Schertenleib, Mounir Mensi, Ilia Kochetygov, Andres Ortega-Guerrero, Wendy L. Queen

Version 1 posted 20 October 2023

487

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Catalysis

Working Paper

Towards optimal photocatalytic hydrogen generation from water using pyrene-based metal-organic frameworks

F. Pelin Kinik, Andres Ortega Guerrero, Fatmah Mish Ebrahim, Christopher P. Ireland, Ozge Kadioglu, Amber Mace, Mehrdad Asgari, Berend Smit

Version 1 posted 02 July 2021

660

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Theoretical and Computational Chemistry

Working Paper

Leveraging Large Language Models for Predictive Chemistry

Kevin Maik Jablonka, Philippe Schwaller, Andres Ortega-Guerrero, Berend Smit

Version 3 posted 17 October 2023

12,200

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3

Citations

Materials Chemistry

Working Paper

Non-Uniform Chiralization of Metal-Organic Frameworks Using Imine Chemistry

Balázs Álmos Novotny, Sauradeep Majumdar, Andres Ortega-Guerrero, Kevin Maik Jablonka, Elias Moubarak, Natalia Gasilova, Fatmah Mish Ebrahim, Berend Smit

Version 3 posted 17 October 2024

563

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Inorganic Chemistry

Working Paper

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

240

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Materials Chemistry

Working Paper

Zigzag Graphene Nanoribbons with Periodic Porphyrin Edge Extensions

Feifei Xiang, Yanwei Gu, Amogh Kinikar, Nicolò Bassi, Andres Ortega-Guerrero, Zijie Qiu, Oliver Gröning, Pascal Ruffieux, Carlo Pignedoli, Klaus Müllen, Roman Fasel

Version 1 posted 09 July 2024

671

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Materials Science

Working Paper

Unraveling Metal Effects on CO2 Uptake in Pyrene-based Metal-Organic Frameworks through Integrated Lab and Computer Experiments

Nency P. Domingues, Miriam J. Pougin, F. Pelin Uran, Andres Ortega-Guerrero, Christopher P. Ireland, Pascal Schouwink, Christian Schürmann, Jordi Espín, Emad Oveisi, Fatmah Mish Ebrahim, Wendy Lee Queen, Berend Smit

Version 1 posted 08 February 2024

717

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Refine Search

8 results in Andres Ortega-Guerrero in Authors: Andres Ortega-Guerrero

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

Post-synthetic Covalent Grafting of Amines to NH2-MOF for Post-Combustion Carbon Capture

Towards optimal photocatalytic hydrogen generation from water using pyrene-based metal-organic frameworks

Leveraging Large Language Models for Predictive Chemistry

Non-Uniform Chiralization of Metal-Organic Frameworks Using Imine Chemistry

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

Zigzag Graphene Nanoribbons with Periodic Porphyrin Edge Extensions

Unraveling Metal Effects on CO2 Uptake in Pyrene-based Metal-Organic Frameworks through Integrated Lab and Computer Experiments

8 results in Authors: Andres Ortega-Guerrero