ArticleJournal of chemical theory and computation2023
A Neural-Network-Optimized Hydrogen Peroxide Pairwise Additive Model for Classical Simulations.
Article in Journal of chemical theory and computation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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2 authors.
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Abstract
We have developed an all-atom pairwise additive model for hydrogen peroxide using an optimization procedure based on artificial neural networks (ANNs). The model is based on experimental molecular geometry and includes a dihedral potential that hinders the
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Registered trials
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