Ultrafast Computational Screening of Molecules with Inverted Singlet–Triplet Energy Gaps Using the Pariser–Parr–Pople Semiempirical Quantum Chemistry Method

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Kjell Jorner, Robert Pollice, Cyrille Lavigne, Alán Aspuru-Guzik

Published: 28 Mar 2024, Last Modified: 26 Mar 2026The Journal of Physical Chemistry AEveryoneRevisionsCC BY-SA 4.0
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