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Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies.
Pei Z, Ou Q, Mao Y, Yang J, Lande A, Plasser F, Liang W, Shuai Z, Shao Y. Pei Z, et al. Among authors: plasser f. J Phys Chem Lett. 2021 Mar 25;12(11):2712-2720. doi: 10.1021/acs.jpclett.1c00094. Epub 2021 Mar 11. J Phys Chem Lett. 2021. PMID: 33705139 Free PMC article.
Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad.
Wiebeler C, Plasser F, Hedley GJ, Ruseckas A, Samuel ID, Schumacher S. Wiebeler C, et al. Among authors: plasser f. J Phys Chem Lett. 2017 Mar 2;8(5):1086-1092. doi: 10.1021/acs.jpclett.7b00089. Epub 2017 Feb 21. J Phys Chem Lett. 2017. PMID: 28206765 Free article.
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, Kussmann J, Lange AW, Lao KU, Levine DS, Liu J, McKenzie SC, Morrison AF, Nanda KD, Plasser F, Rehn DR, Vidal ML, You ZQ, Zhu Y, Alam B, Albrecht BJ, Aldossary A, Alguire E, Andersen JH, Athavale V, Barton D, Begam K, Behn A, Bellonzi N, Bernard YA, Berquist EJ, Burton HGA, Carreras A, Carter-Fenk K, Chakraborty R, Chien AD, Closser KD, Cofer-Shabica V, Dasgupta S, de Wergifosse M, Deng J, Diedenhofen M, Do H, Ehlert S, Fang PT, Fatehi S, Feng Q, Friedhoff T, Gayvert J, Ge Q, Gidofalvi G, Goldey M, Gomes J, González-Espinoza CE, Gulania S, Gunina AO, Hanson-Heine MWD, Harbach PHP, Hauser A, Herbst MF, Hernández Vera M, Hodecker M, Holden ZC, Houck S, Huang X, Hui K, Huynh BC, Ivanov M, Jász Á, Ji H, Jiang H, Kaduk B, Kähler S, Khistyaev K, Kim J, Kis G, Klunzinger P, Koczor-Benda Z, Koh JH, Kosenkov D, Koulias L, Kowalczyk T, Krauter CM, Kue K, Kunitsa A, Kus T, Ladjánszki I, Landau A, Lawler KV, Lefrancois D, Lehtola S, Li RR, Li YP, Liang J, Liebenthal M, Lin HH, Lin YS, Liu F, Liu KY, Loipersberger M, Luenser A, M… See abstract for full author list ➔ Epifanovsky E, et al. Among authors: plasser f. J Chem Phys. 2021 Aug 28;155(8):084801. doi: 10.1063/5.0055522. J Chem Phys. 2021. PMID: 34470363 Free PMC article.
Multireference Averaged Quadratic Coupled Cluster (MR-AQCC) Study of the Geometries and Energies for ortho-, meta- and para-Benzyne.
Vu K, Pandian J, Zhang B, Annas C, Parker AJ, Mancini JS, Wang EB, Saldana-Greco D, Nelson ES, Springsted G, Lischka H, Plasser F, Parish CA. Vu K, et al. Among authors: plasser f. J Phys Chem A. 2024 Sep 19;128(37):7816-7829. doi: 10.1021/acs.jpca.4c04099. Epub 2024 Sep 6. J Phys Chem A. 2024. PMID: 39240216 Free PMC article.
89 results