Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations
Author:
Affiliation:
1. Chair of Technical Thermodynamics, RWTH Aachen University, D-52062 Aachen, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00524
Reference27 articles.
1. Mechanism of Brønsted acid-catalyzed conversion of carbohydrates
2. Mathematical Physiology
3. Photosynthesis by sugar-cane leaves. A new carboxylation reaction and the pathway of sugar formation
4. ReaxFF: A Reactive Force Field for Hydrocarbons
5. Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations
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