Fixed-node diffusion Monte Carlo shows promise for modeling reaction thermochemistry of hydrocarbon-based radicals.
| Autor: | Huber, Timothy B.1 (AUTHOR), Wheeler, Ralph A.1 (AUTHOR) rwheeler5@niu.edu |
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| Zdroj: | Journal of Chemical Physics. 7/21/2024, Vol. 161 Issue 3, p1-12. 12p. |
| Databáze: | Academic Search Ultimate |
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