Thermally Induced Structural Changes in F-(H2O)11 and Cl-(H2O)11 Clusters: Molecular Dynamics Computer Simulations
- 1 January 1996
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (4) , 1350-1356
- https://doi.org/10.1021/jp951593g
Abstract
No abstract availableThis publication has 23 references indexed in Scilit:
- Monte Carlo simulation of acetonitrile clusters [CH3CN]N, N=2–256: Melting transitions and even/odd character of small clusters (N=2–9), heat capacities, density profiles, fractal dimension, intracluster dimerization, and dipole orientationThe Journal of Chemical Physics, 1994
- Molecular dynamics studies of melting and solid-state transitions of tellurium hexafluoride clustersThe Journal of Physical Chemistry, 1993
- Minimum structures and dynamics of small water clustersThe Journal of Physical Chemistry, 1993
- A molecular dynamics study of small acetonitrile clustersThe Journal of Chemical Physics, 1993
- Theoretical study of small water clusters: low-energy fused cubic structures for (H2O)n, n = 8, 12, 16, and 20The Journal of Physical Chemistry, 1993
- Structure and dynamics of Cl−(H2O)20 clusters: The effect of the polarizability and the charge of the ionThe Journal of Chemical Physics, 1992
- Ion solvation in polarizable water: molecular dynamics simulationsJournal of the American Chemical Society, 1991
- Implementation of nonadditive intermolecular potentials by use of molecular dynamics: development of a water-water potential and water-ion cluster interactionsJournal of the American Chemical Society, 1990
- Introductory lecture. Clusters, melting, freezing and phase transitionsJournal of the Chemical Society, Faraday Transactions, 1990
- Studies in hydrogen bonding: the octamers of waterThe Journal of Physical Chemistry, 1984