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Ab Initio Partition Functions and Thermodynamic Quantities for the Molecular Hydrogen Isotopologues
[Image: see text] In this work, we calculate the partition functions and thermodynamic quantities of molecular hydrogen isotopologues using the rovibrational energy levels provided by the highly accurate ab initio adiabatic potential energy functions recently determined by Pachucki and Komasa (Pachu...
| 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/PMC8543445/ https://www.ncbi.nlm.nih.gov/pubmed/34613734 http://dx.doi.org/10.1021/acs.jpca.1c06468 |