"Electronic structure and optical properties of isolated and TiO2-grafted ..."

Syrine Daoudi et al. (2019)

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DOI: 10.1002/JCC.26027

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type: Journal Article

metadata version: 2024-10-06

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Syrine Daoudi, Abderrahmane Semmeq, Michael Badawi, Xavier Assfeld, Youssef Arfaoui, Mariachiara Pastore:
Electronic structure and optical properties of isolated and TiO2-grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD-DFT. J. Comput. Chem. 40(29): 2530-2538 (2019)

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