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All-Dimensional H(2)–CO Potential: Validation with Fully Quantum Second Virial Coefficients
We use a new high-accuracy all-dimensional potential to compute the cross second virial coefficient B(12)(T) between molecular hydrogen and carbon monoxide. The path-integral method is used to fully account for quantum effects. Values are calculated from 10 K to 2000 K and the uncertainty of the pot...
Sparad:
| I publikationen: | J Chem Phys |
|---|---|
| Huvudupphovsmän: | , , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
2017
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5452426/ https://ncbi.nlm.nih.gov/pubmed/28178790 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4974993 |
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