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Properties of a soft-core model of methanol: An integral equation theory and computer simulation study
Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl grou...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4241812/ https://ncbi.nlm.nih.gov/pubmed/25362323 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4899316 |
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