Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations

Döntgen, Malte; Schmalz, Felix; Kopp, Wassja Alexander; Kröger, Leif Christian; Leonhard, Kai (Corresponding author)

Washington, DC : American Chemical Society (2018, 2019)
Fachzeitschriftenartikel

In: Journal of chemical information and modeling
Band: 58
Heft: 7
Seite(n)/Artikel-Nr.: 1343-1355