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...

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Detalles Bibliográficos
Autores principales: Zúñiga, José, Bastida, Adolfo, Requena, Alberto, Cerezo, Javier
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
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

Internet

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

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