Investigation of Water Clusters Containing OH- and H3O+ Ions in Atmospheric Conditions. A Molecular Dynamics Simulation Study
- 25 May 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 106 (25) , 6479-6487
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Molecular dynamics simulations of water clusters with ions at atmospheric conditionsThe Journal of Chemical Physics, 2002
- Solid-liquid phase transition in small water clusters: a molecular dynamics simulation studyMolecular Physics, 2002
- Transport and spectroscopy of the hydrated proton: A molecular dynamics studyThe Journal of Chemical Physics, 1999
- Potential models for simulations of the solvated proton in waterThe Journal of Chemical Physics, 1998
- A variable charge central force model for water and its ionic dissociation productsThe Journal of Chemical Physics, 1996
- The quantum dynamics of an excess proton in waterThe Journal of Chemical Physics, 1996
- Production and magic numbers of large hydrated anion clusters X-(H2O)N=0-59 (X = hydroxyl, oxygen atom or molecule, and ozone) under thermal conditionsThe Journal of Physical Chemistry, 1990
- Filling of solvent shells about ions. 1. Thermochemical criteria and the effects of isomeric clustersThe Journal of Physical Chemistry, 1986
- Hydration of OH- and O2- in the gas phase. Comparative solvation of OH- by water and the hydrogen halides. Effects of acidityThe Journal of Physical Chemistry, 1970
- Solvation of the hydrogen ion by water molecules in the gas phase. Heats and entropies of solvation of individual reactions. H+(H2O)n-1 + H2O .fwdarw. H+(H2O)nJournal of the American Chemical Society, 1967