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1 Ergebnisse
1
Large Inverted Singlet–Triplet Energy Gaps Are Not Always F..:
Fabian Dinkelbach (3664123)
;
Mario Bracker (10969247)
;
Martin Kleinschmidt (2470672)
.
https://figshare.com/articles/journal_contribution/Large_Inverted_Singlet_Triplet_Energy_Gaps_Are_Not_Always_Favorable_for_Triplet_Harvesting_Vibronic_Coupling_Drives_the_Reverse_Intersystem_Crossing_in_Heptazine_Derivatives/16980642. , 2021
Link:
https://doi.org/10.1021/acs.jpca.1c09150.s001
RT Journal T1
Large Inverted Singlet–Triplet Energy Gaps Are Not Always Favorable for Triplet Harvesting: Vibronic Coupling Drives the (Reverse) Intersystem Crossing in Heptazine Derivatives
UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16980642&Exemplar=1&LAN=DE A1 Fabian Dinkelbach (3664123) A1 Mario Bracker (10969247) A1 Martin Kleinschmidt (2470672) A1 Christel M. Marian (1550992) YR 2021 K1 Biophysics K1 Biochemistry K1 Neuroscience K1 Cancer K1 Plant Biology K1 Mathematical Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 vibronic coupling drives K1 similar time scales K1 require thermal activation K1 normal coordinate displacements K1 multireference configuration interaction K1 electronic excitation energies K1 electroluminescence quantum yields K1 determine nonadiabatic couplings K1 comprehensive theoretical study K1 finite difference approach K1 r ) isc K1 ic efficiently quenches K1 heptazine proves challenging K1 heptazine core compound K1 1 </ sub K1 test calculations show K1 recent studies raised K1 n → π K1 e ″ states K1 density functional theory K1 0 </ sub K1 ic ) K1 isc K1 reverse intersystem crossing K1 intersystem crossing K1 − 0 K1 static approach K1 triplet harvesting K1 triplet excitons K1 state properties K1 small regular K1 rate constants K1 promising dopants K1 kinetic constants K1 internal conversion K1 first order K1 electroluminescent devices K1 downhill process K1 always favorable K1 02 ev JF https://figshare.com/articles/journal_contribution/Large_Inverted_Singlet_Triplet_Energy_Gaps_Are_Not_Always_Favorable_for_Triplet_Harvesting_Vibronic_Coupling_Drives_the_Reverse_Intersystem_Crossing_in_Heptazine_Derivatives/16980642 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpca.1c09150.s001 DO https://doi.org/10.1021/acs.jpca.1c09150.s001 SF ELIB - SuUB Bremen
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