Simulation of Solvatochromic Phenomena in Xanthione Using Explicit Solvent Methods

Xanthione is a sulfated polycyclic aromatic hydrocarbon which exhibits unique anti-Kasha properties and substantial sensitivity to its medium. Due to this sensitivity however, this makes xanthione-based systems very difficult to simulate. Further, xanthione’s is understood to be come more photostabl...

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Bibliographic Details

Published in:	Molecules
Main Authors:	Anjay Manian, Zifei Chen, Rohan J. Hudson, Salvy P. Russo
Format:	Article
Language:	English
Published:	MDPI AG 2024-11-01
Subjects:	xanthione solvent effects explicit solvation DFT MRCI MD
Online Access:	https://www.mdpi.com/1420-3049/29/23/5609