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Solvation dynamics in polar solvents and imidazolium ionic liquids: failure of linear response approximations

This study presents the large scale computer simulations of two common fluorophores, N-methyl-6-oxyquinolinium betaine and coumarin 153, in five polar or ionic solvents. The validity of linear response approximations to calculate the time-dependent Stokes shift is evaluated in each system. In most s...

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Bibliographic Details
Published in:Phys Chem Chem Phys
Main Authors: Heid, Esther, Schröder, Christian
Format: Artigo
Language:Inglês
Published: Royal Society of Chemistry 2018
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5815284/
https://ncbi.nlm.nih.gov/pubmed/29400383
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7cp07052g
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