First-principles–based reaction kinetics from reactive molecular dynamics simulations : Application to hydrogen peroxide decomposition
| Autor: | Ilyin, Daniil V., Goddard, William A., Oppenheim, Julius J., Cheng, Tao |
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| Zdroj: | Proceedings of the National Academy of Sciences of the United States of America, 2019 Sep 01. 116(37), 18202-18208. |
| Databáze: | JSTOR Journals |
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