Direct Dynamics Studies of a Binuclear Metal Complex in Solution: The Interplay Between Vibrational Relaxation, Coherence, and Solvent Effects

By using a newly implemented QM/MM multiscale MD method to simulate the excited state dynamics of the Ir2(dimen)4 2+ (dimen = 1,8-diisocyano-p-menthane) complex, we not only report on results that support the two experimentally observed coherent dynamical modes in the molecule but also reveal a thir...

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Veröffentlicht in:	The journal of physical chemistry letters 2014-07, Vol.5 (14), p.2414-2418
Hauptverfasser:	Dohn, Asmus Ougaard, Jónsson, Elvar Örn, Kjær, Kasper Skov, van Driel, Tim Brandt, Nielsen, Martin Meedom, Jacobsen, Karsten Wedel, Henriksen, Niels Engholm, Møller, Klaus Braagaard
Format:	Artikel
Sprache:	eng
Schlagworte:	Spectroscopy, Photochemistry, and Excited States
Online-Zugang:	Volltext
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