Electronic structure and optical properties of isolated and...

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Journal of Computational Chemistry 2019 / 07

Electronic structure and optical properties of isolated and TiO 2 ‐grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD‐DFT

Daoudi, Syrine, Semmeq, Abderrahmane, Badawi, Michael, Assfeld, Xavier, Arfaoui, Youssef, Pastore, Mariachiara
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Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.26027
Date:
July, 2019
File:
PDF, 2.02 MB
english, 2019
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