On-the-fly ab initio calculations toward accurate rate coefficients
Author:
Funder
Seventh Framework Programme
ERC
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Mechanical Engineering,General Chemical Engineering
Reference42 articles.
1. Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges
2. Further considerations on the thermodynamics of chemical equilibria and reaction rates
3. Carbon-Centered Radical Addition and β-Scission Reactions: Modeling of Activation Energies and Pre-exponential Factors
4. J. Zador, H.N. Najm, KinBot 1.0: A Code for Automatic PES Exploration, 2013. 8th U. S. National Combustion Meeting, paper number 070RK-0384.
5. Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods
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