Improved thermodynamic modeling of linear triatomic molecules using a hyperbolic Pöschl-Teller oscillator
Accurate characterization of thermodynamic properties at high temperatures is essential for modeling chemical systems. However, widely used methods such as NASA polynomials, which are based on the rigid-rotor harmonic oscillator (RRHO) approximation, often fail to capture anharmonic vibrational effe...
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| Principais autores: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2025-10-01
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| coleção: | Chemical Thermodynamics and Thermal Analysis |
| Assuntos: | |
| Acesso em linha: | http://www.sciencedirect.com/science/article/pii/S2667312625000604 |
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