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ABSTRACT:
SUBMITTER: Garberoglio G
PROVIDER: S-EPMC5452426 | biostudies-literature | 2017 Feb
REPOSITORIES: biostudies-literature
Garberoglio Giovanni G Jankowski Piotr P Szalewicz Krzysztof K Harvey Allan H AH
The Journal of chemical physics 20170201 5
We use a new high-accuracy all-dimensional potential to compute the cross second virial coefficient B<sub>12</sub>(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 potential is propagated into uncertainties of B<sub>12</sub>. Our calculated B<sub>12</sub>(T) are in excellent agreement with most of the limited experimental data available, but cover a much w ...[more]