Small clusters of water molecules using density functional theory
Sviluppo e Studi Superior! in Sardegna (CRS4). The geometries, interaction energies, and harmonic vibrational frequencies of water clusters (with up to 8 molecules) have been studied using density functional theory (DFT) at the gradient corrected level. The water monomer and water dimer calculations...
| Autores principales: | Estrin, D.A., Paglieri, L., Corongiu, G., Clementi, E. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00223654_v100_n21_p8701_Estrin |
| Aporte de: |
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