Equilibrium and dynamical aspects of solvation of Coumarin-151 in polar nanoclusters

Molecular dynamics experiments have been performed to study equilibrium aspects of the solvation of Coumarin-151 in polar nanoclusters containing Ns = 5, 10, and 50 water and methanol molecules. In small aggregates, both solvents show preferential solvation of the amino group of the solute. Whereas...

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Detalles Bibliográficos
Autores principales: Tamashiro, Alejandro Andrés, Rodriguez, Javier, Laria, Daniel Hector
Publicado: 2002
Materias:
Polar nanoclusters
Agglomeration
Computer simulation
Diffusion
Dyes
Methanol
Molecular dynamics
Nanostructured materials
Organic solvents
Relaxation processes
Surface chemistry
Aromatic compounds
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v106_n2_p215_Tamashiro
http://hdl.handle.net/20.500.12110/paper_10895639_v106_n2_p215_Tamashiro
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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