Structural and dynamical characteristics of mesoscopic H+[H2O]n clusters

Structural and dynamical characteristics pertaining to the solvation of an excess proton in liquid-like nanoclusters of the type [H2O]n are investigated using Molecular Dynamics experiments. Three different aggregate sizes were analyzed: n = 10, 21 and 125. The simulation experiments were performed...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Galvagno, M., Laria, D., Rodriguez, J.
Formato: JOUR
Materias:
Molecular Dynamics
Proton solvation
Water clusters
Agglomeration
Hamiltonians
Molecular dynamics
Molecular structure
Proton transfer
Solvation
Aggregate sizes
Liquid-like nanoclusters
Nanoclusters
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_01677322_v136_n3_p317_Galvagno
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

Ejemplares similares

Ejemplares similares