relation: http://d-scholarship-dev.library.pitt.edu/17971/
title: Finite temperature behavior of H+(H2O)6 and H+(H2O)8
creator: Christie, RA
creator: Jordan, KD
description: The finite temperature behavior of H+(H2O)6 and H+(H2O)8 was investigated. The parallel tempering Monte Carlo simulation with the multistate empirical valence-bond method was used for describing the interactions. The temperature dependence of the constant volume configurational heat capacity, Cv(T), of H+(H2O)8 revealed two sharp transitions, whereas that of H+(H2O)6 was devoid of sharp structure.
date: 2002-08-22
type: Article
type: PeerReviewed
format: text/plain
language: en
rights: attached
identifier: http://d-scholarship-dev.library.pitt.edu/17971/1/licence.txt
identifier: Christie, RA and Jordan, KD (2002) Finite temperature behavior of H+(H2O)6 and H+(H2O)8. Journal of Physical Chemistry B, 106 (33). 8376 - 8381. ISSN 1089-5647
relation: 10.1021/jp0209042