First-principles–based reaction kinetics from reactive...

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Proceedings of the National Academy of Sciences 2018 / 09

First-principles–based reaction kinetics from reactive molecular dynamics simulations: Application to hydrogen peroxide decomposition

Ilyin, Daniil V., Goddard, William A., Oppenheim, Julius J., Cheng, Tao
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Language:
english
Journal:
Proceedings of the National Academy of Sciences
DOI:
10.1073/pnas.1701383115
Date:
September, 2018
File:
PDF, 947 KB
english, 2018
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