0576888 - ÚFCH JH 2024 RIV US eng J - Journal Article
Drwal, D. - Matoušek, Mikuláš - Golub, Pavlo - Tucholska, A. - Hapka, M. - Brabec, Jiří - Veis, Libor - Pernal, K.
Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives.
Journal of Chemical Theory and Computation. Roč. 19, č. 21 (2023), s. 7606-7616. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GF23-04302L
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388955
Keywords : Energy * Determinants * Quantum mechanics
OECD category: Physical chemistry
Impact factor: 5.7, year: 2023 ; AIS: 1.425, rok: 2023
Method of publishing: Open access
DOI: https://doi.org/10.1021/acs.jctc.3c00781
Permanent Link: https://hdl.handle.net/11104/0346286