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Absorption and Emission Spectra of a Flexible Dye in Solution: a Computational Time-Dependent Approach

The spectroscopic properties of the organic chromophore 4-naphthoyloxy-1-methoxy-2,2,6,6-tetramethylpiperidine (NfO-TEMPO-Me) in toluene solution are explored through an integrated computational strategy combining a classical dynamic sampling with a quantum mechanical description within the framewor...

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Bibliografske podrobnosti
izdano v:J Chem Theory Comput
Main Authors: De Mitri, Nicola, Monti, Susanna, Prampolini, Giacomo, Barone, Vincenzo
Format: Artigo
Jezik:Inglês
Izdano: 2013
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4618302/
https://ncbi.nlm.nih.gov/pubmed/26504457
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4005799
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