TY  - JOUR
ID  - pittir18238
UR  - http://d-scholarship-dev.library.pitt.edu/18238/
IS  - 1-3
A1  - McCarthy, VN
A1  - Jordan, KD
Y1  - 2006/09/29/
N2  - 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.
JF  - Chemical Physics Letters
VL  - 429
SN  - 0009-2614
TI  - 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
SP  - 166 
AV  - public
EP  -  168
ER  -