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[Rp] Reproduction of interaction second virial coefficient calculation for H₂--CO interactions [J. Chem. Phys. vol. 112, 4417 (2000)]

A Fortran reproduction of a molecular-interaction second-virial-coefficient calculation for hydrogen and carbon monoxide.

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External publication. Published by its original venue; not published in our journal.

A QUESTION TO TAKE FURTHER

Can a simplified potential with a known integral expose quadrature or unit-conversion errors before the original model is attempted?

An evaluator defines the simplified potential, derives or independently evaluates its reference integral and checks dimensions and numerical convergence.

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  • No research code was executed; no independent scientific verification has been performed.
  • The current qualified pilot is self-contained Python 3.13 with a 90-second author deadline. This article's environment has not been qualified for that path.
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Source and permission context

McBane, George C.. [Rp] Reproduction of interaction second virial coefficient calculation for H₂--CO interactions [J. Chem. Phys. vol. 112, 4417 (2000)]. ReScience C 6(1), #1; 10.5281/zenodo.3630224.

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ReScience/Zenodo metadata reviewed; exact CC-BY-4.0 evidence is manuscript-scoped.

Reviewed 2026-09-14. Copying or adapting source files remains subject to their own terms.

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The exact Zenodo record cited by the journal declares cc-by-4.0; the journal separately identifies published manuscripts as CC BY. This records manuscript rights, not separate code/data licenses or archive contents.

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