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Two Faces of the Two-Phase Thermodynamic Model
[Image: see text] The quantum harmonic model and the two-phase thermodynamic method (2PT) are widely used to obtain quantum-corrected properties such as isobaric heat capacities or molar entropies. 2PT heat capacities were calculated inconsistently in the literature. For water, the classical heat ca...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8582254/ https://www.ncbi.nlm.nih.gov/pubmed/34648287 http://dx.doi.org/10.1021/acs.jctc.1c00156 |