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"Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics ..."

Malte Döntgen et al. (2018)

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DOI: 10.1021/ACS.JCIM.8B00078

access: closed

type: Journal Article

metadata version: 2021-10-14

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Malte Döntgen, Felix Schmalz, Wassja A. Kopp, Leif C. Kröger, Kai Leonhard:
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations. J. Chem. Inf. Model. 58(7): 1343-1355 (2018)

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