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Quantum Mechanical Study of the Nonbonded Forces in Water–Methanol Complexes
The water–methanol dimer can adopt two possible configurations (WdM or MdW) depending on whether the water or the methanol acts as the hydrogen bond donor. The relative stability between the two configurations is less than 1 kcal/mol, and as a result, this dimer has been a challenging system to inve...
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| Autores principales: | , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2001
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1388248/ https://ncbi.nlm.nih.gov/pubmed/16518456 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp004413y |
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