Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations

The aggregation in a solution of charged dyes such as Rhodamine B (RB) is significantly affected by the type of counterion, which can determine the self-assembled structure that in turn modulates the optical properties. RB aggregation can be boosted by hydrophobic and bulky fluorinated tetraphenylbo...

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Hlavní autoři:	Giacomo Fanciullo, Silvia Orlandi, Andrey S. Klymchenko, Luca Muccioli, Ivan Rivalta
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	MDPI AG 2023-06-01
Edice:	Molecules
Témata:	Rhodamine B dye aggregation fluorinated tetraphenylborate molecular dynamics force field parametrization
On-line přístup:	https://www.mdpi.com/1420-3049/28/12/4742
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