Isomerization, melting, and polarity of model water clusters: (H2O)6 and (H2O)8
Energetics, structural features, polarity, and melting transitions in water clusters containing up to eight molecules were studied using ab initio methods and empirical force field models. Our quantum approach was based on density functional theory performed at the generalized gradient approximation...
Guardado en:
| Autor principal: | Rodriguez, J. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v110_n18_p9039_Rodriguez |
| Aporte de: |
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