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Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives

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    Drwal, D., Matoušek, M., Golub, P., Tucholska, A., Hapka, M., Brabec, J., Veis, L., Pernal, K. Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives. Journal of Chemical Theory and Computation. 2023, 19(21), 7606-7616. ISSN 1549-9618. E-ISSN 1549-9626. Available: https://doi.org/10.1021/acs.jctc.3c00781.
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