Isotopic Preferential Solvation of I- in Low-Temperature Water Nanoclusters

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We present results from ring polymer molecular dynamics experiments that provide microscopic insights into the characteristics of the isotopic stabilizations of H and D aqueous species in the first solvation shell of a halide I- ion in water nanoclusters at low temperatures. The analysis of the simp...

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Detalles Bibliográficos
Autores principales: Videla, P.E., Rossky, P.J., Laria, D.
Formato: JOUR
Materias:
Dimers
Electric fields
Hydrogen bonds
Isomers
Isotopes
Kinetic energy
Kinetics
Molecular dynamics
Molecules
Nanoclusters
Solvation
Temperature
Aqueous species
Energy projected
Infrared spectroscopic
Low temperatures
Preferential solvation
Similar analysis
Solvation shell
Water nanoclusters
Stabilization
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_15206106_v119_n35_p11783_Videla
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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