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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 <Title>Large Inverted Singlet–Triplet Energy Gaps Are Not Always Favorable for Triplet Harvesting: Vibronic Coupling Drives the (Reverse) Intersystem Crossing in Heptazine Derivatives</Title>

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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