Facultade de Química
Centre
Czech Technical University in Prague
Praga, República ChecaPublicacions en col·laboració amb investigadors/es de Czech Technical University in Prague (8)
2024
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High throughput selection of organic cathode materials
Journal of Computational Chemistry, Vol. 45, Núm. 5, pp. 264-273
2023
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Computational selection of singlet fission colorants
Computational and Theoretical Chemistry, Vol. 1229
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Singlet Fission Driven by Excited-State Intramolecular Proton Transfer (ESIPT+SF): A (TD)DFT Study
ChemPhotoChem, Vol. 7, Núm. 7
2022
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Effect of oligothiophene spacer length on photogenerated charge transfer from perylene diimide to boron-doped diamond electrodes
Solar Energy Materials and Solar Cells, Vol. 248
2021
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A new protocol for the identification of singlet fission sensitizers through computational screening
Journal of Computational Chemistry, Vol. 42, Núm. 31, pp. 2241-2249
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Revisiting the electronic nature of nanodiamonds
Diamond and Related Materials, Vol. 120
2020
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Ab initio description of nanodiamonds: A DFT and TDDFT benchmark
Diamond and Related Materials, Vol. 108
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Photogenerated charge collection on diamond electrodes with covalently linked chromophore monolayers
Electrochimica Acta, Vol. 337