Automatic PES mapping from Reaxff simulations with ChemTraYzer

Huang, Can; Schmalz, Felix; Kopp, Wassja Alexander; Krep, Lukas; Kröger, Leif; Döntgen, Malte; Leonhard, Kai

(2021)
Poster

In: 38. International Symposium on Combustion Adelaine 2021-01-24 - 2021-01-29