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ChemPhysChem 2020 / 12

Singlet‐triplet excited‐state inversion in heptazine and related molecules: assessment of TD‐DFT and ab initio methods

Ricci, Gaetano, San-Fabián Maroto, Emilio, Olivier, Yoann, Sancho-Garcia, Juan-Carlos
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Journal:
ChemPhysChem
DOI:
10.1002/cphc.202000926
Date:
December, 2020
File:
PDF, 1.55 MB
2020
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