On the Fluorescence Properties and Nonradiative Transitions in Medium-Sized All-Trans Polyenes

The nonadiabatic photodynamics of all-trans linear polyenes with N = 4–8 conjugated double bonds is studied from an electronic structure perspective. Excitation energies and stationary points for the 1B u and 2A g singlet states have been computed by using the state-average complete active space (SA...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2023-10, Vol.127 (41), p.8501-8507
Hauptverfasser:	Menger, Maximilian F. S. J., Köppel, Horst
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters
Online-Zugang:	Volltext
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