%A VN McCarthy
%A KD Jordan
%J Chemical Physics Letters
%T Structure and stability of the (H<inf>2</inf>O)<inf>21</inf> and (H<inf>2</inf>O)<inf>20</inf> ? (H<inf>2</inf>S) clusters: Relevance of cluster systems to gas hydrate formation
%X In order to gain insight into the factors responsible for the different behavior of H2O and H2S with respect to hydrate formation, we have studied theoretically the (H2O)21 and (H2O)20 ? H2S cluster systems. For each cluster, two isomers resulting from insertion of an H2O or H2S molecule into a dodecahedral (H2O)20 cage were examined. The calculations were performed using the density functional and RIMP2 methods. ? 2006 Elsevier B.V. All rights reserved.
%N 1-3
%P 166 - 168
%V 429
%D 2006
%R 10.1016/j.cplett.2006.06.120
%L pittir18238