Publication - Journal Article Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives

Journal Article

Journal of Chemical Theory and Computation, vol. 19, iss. 21, pp. 7606-7616, 2023

Authors

Daria Drwal, Mikuláš Matoušek, Pavlo Golub, Aleksandra Tucholska, Michał Hapka, Jiří Brabec, Libor Veis, Katarzyna Pernal

Language English