Energy partitioning on intermolecular interactions: ab initio Monte Carlo study of water dimer
Ab initio Monte Carlo computations were carried out on H<sub>2</sub>O dimer system. By introducing the energy partitioning scheme that we have developed recently, ab initio calculated H<sub>2</sub>O-H<sub>2</sub>O interaction can be analyzed from the viewpoint of atom-atom interaction. The electroni...
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| Auteurs principaux: | , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine
2007-12-01
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| Collection: | Condensed Matter Physics |
| Sujets: | |
| Accès en ligne: | http://dx.doi.org/10.5488/CMP.10.4.463 |
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