Pyrene-based metal organic frameworks: from synthesis to applications FP Kinik, A Ortega-Guerrero, D Ongari, CP Ireland, B Smit Chemical Society Reviews 50 (5), 3143-3177, 2021 | 141 | 2021 |
A data-science approach to predict the heat capacity of nanoporous materials SM Moosavi, BÁ Novotny, D Ongari, E Moubarak, M Asgari, Ö Kadioglu, ... Nature materials 21 (12), 1419-1425, 2022 | 62 | 2022 |
Charge separation and charge carrier mobility in photocatalytic metal‐organic frameworks M Fumanal, A Ortega‐Guerrero, KM Jablonka, B Smit, I Tavernelli Advanced Functional Materials 30 (49), 2003792, 2020 | 60 | 2020 |
Leveraging large language models for predictive chemistry KM Jablonka, P Schwaller, A Ortega-Guerrero, B Smit Nature Machine Intelligence 6 (2), 161-169, 2024 | 52 | 2024 |
On-water surface synthesis of charged two-dimensional polymer single crystals via the irreversible Katritzky reaction Z Wang, Z Zhang, H Qi, A Ortega-Guerrero, L Wang, K Xu, M Wang, ... Nature Synthesis 1 (1), 69-76, 2022 | 49 | 2022 |
Is GPT-3 all you need for low-data discovery in chemistry? KM Jablonka, P Schwaller, A Ortega-Guerrero, B Smit | 41 | 2023 |
Insights into the electronic properties and charge transfer mechanism of a porphyrin ruthenium-based metal–organic framework A Ortega-Guerrero, M Fumanal, G Capano, I Tavernelli, B Smit Chemistry of Materials 32 (10), 4194-4204, 2020 | 36 | 2020 |
TRPV1 channel as a target for cancer therapy using CNT-based drug delivery systems A Ortega-Guerrero, JM Espinosa-Duran, J Velasco-Medina European Biophysics Journal 45, 423-433, 2016 | 25 | 2016 |
Toward optimal photocatalytic hydrogen generation from water using pyrene-based metal–organic frameworks FP Kinik, A Ortega-Guerrero, FM Ebrahim, CP Ireland, O Kadioglu, ... ACS applied materials & interfaces 13 (48), 57118-57131, 2021 | 20 | 2021 |
From isolated porphyrin ligands to periodic Al-PMOF: A comparative study of the optical properties using DFT/TDDFT A Ortega-Guerrero, M Fumanal, G Capano, B Smit The Journal of Physical Chemistry C 124 (39), 21751-21760, 2020 | 17 | 2020 |
In Search of Covalent Organic Framework Photocatalysts: A DFT‐Based Screening Approach B Mourino, KM Jablonka, A Ortega‐Guerrero, B Smit Advanced Functional Materials 33 (32), 2301594, 2023 | 14 | 2023 |
Post‐Synthetic Covalent Grafting of Amines to NH2‐MOF for Post‐Combustion Carbon Capture A Justin, J Espín, MJ Pougin, D Stoian, T Schertenleib, M Mensi, ... Advanced Functional Materials 34 (7), 2307430, 2024 | 8 | 2024 |
Multiscale modeling strategy of 2d covalent organic frameworks confined at an air–water interface A Ortega-Guerrero, H Sahabudeen, A Croy, A Dianat, R Dong, X Feng, ... ACS Applied Materials & Interfaces 13 (22), 26411-26420, 2021 | 8 | 2021 |
Conformational tuning of magnetic interactions in coupled nanographenes G Catarina, E Turco, N Krane, M Bommert, A Ortega-Guerrero, O Gröning, ... arXiv preprint arXiv:2407.11506, 2024 | | 2024 |
Zigzag Graphene Nanoribbons with Periodic Porphyrin Edge Extensions F Xiang, Y Gu, A Kinikar, N Bassi, A Ortega-Guerrero, Z Qiu, O Gröning, ... | | 2024 |
Adsorption in Pyrene-Based Metal–Organic Frameworks: The Role of Pore Structure and Topology MJ Pougin, NP Domingues, FP Uran, A Ortega-Guerrero, CP Ireland, ... ACS Applied Materials & Interfaces, 2024 | | 2024 |
Layer-Dependent Charge State Lifetime of Single Se Vacancies in WSe L Bobzien, J Allerbeck, N Krane, A Ortega-Guerrero, Z Wang, ... arXiv preprint arXiv:2407.04508, 2024 | | 2024 |
Electronic decoupling and hole-doping of graphene nanoribbons on metal substrates by chloride intercalation A Kinikar, TG Englmann, M Di Giovannantonio, N Bassi, F Xiang, S Stolz, ... ACS Nano, 2024 | | 2024 |
Unraveling Metal Effects on CO2 Uptake in Pyrene-based Metal-Organic Frameworks through Integrated Lab and Computer Experiments NP Domingues, MJ Pougin, FP Uran, A Ortega-Guerrero, CP Ireland, ... | | 2024 |
Using imine chemistry for post-synthetical covalent chiralization of MOF surfaces BÁ Novotny, S Majumdar, A Ortega-Guerrero, KM Jablonka, E Moubarak, ... | | 2024 |