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Modeling solvation effects on absorption and fluorescence spectra of indole in aqueous solution

Modeling the optical spectra of molecules in solution presents a challenge, so it is important to understand which of the solvation effects (i.e., electrostatics, mutual polarization, and hydrogen bonding interactions between solute and solvent molecules) are crucial in reproducing the various featu...

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Bibliografske podrobnosti
izdano v:J Chem Phys
Main Authors: Abou-Hatab, Salsabil, Carnevale, Vincenzo, Matsika, Spiridoula
Format: Artigo
Jezik:Inglês
Izdano: AIP Publishing LLC 2021
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC7878019/
https://ncbi.nlm.nih.gov/pubmed/33588532
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0038342
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