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...
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| Autores principales: | Estrin, D.A., Paglieri, L., Corongiu, G., Clementi, E. |
|---|---|
| Formato: | Artículo publishedVersion |
| Publicado: |
1996
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00223654_v100_n21_p8701_Estrin https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00223654_v100_n21_p8701_Estrin_oai |
| Aporte de: |
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