Predicting Chemical Reaction Barriers with a Machine Learning Model
Author:
Funder
Basic Energy Sciences
Villum Fonden
Publisher
Springer Science and Business Media LLC
Subject
General Chemistry,Catalysis
Link
http://link.springer.com/content/pdf/10.1007/s10562-019-02705-x.pdf
Reference21 articles.
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3. Henkelman G, Jónsson H (2000) Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points. J Chem Phys 113:9978–9985. https://doi.org/10.1063/1.1323224
4. Samuelson P, Thorp EO, Kassouf ST (1968) Beat the Market: A Scientific Stock Market System. J Am Stat Assoc 63:1049. https://doi.org/10.1039/TF9363201333
5. Wang S, Petzold V, Tripkovic V et al (2011) Universal transition state scaling relations for (de)hydrogenation over transition metals. Phys Chem Chem Phys 13:20760. https://doi.org/10.1039/c1cp20547a
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