Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance

Lu, Dandan; Behler, Jörg; Li, Jun

Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance

2020 | journal article. A publication with affiliation to the University of Göttingen.

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Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance
Lu, D.; Behler, J. & Li, J. (2020)
The Journal of Physical Chemistry A, 124(28) pp. 5737-5745. DOI: https://doi.org/10.1021/acs.jpca.0c04182

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