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Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software.
Published in:
International Journal of Chemical Kinetics, 2023, v. 55, n. 6, p. 300, doi. 10.1002/kin.21637
By:
- Dana, Alon Grinberg;
- Johnson, Matthew S.;
- Allen, Joshua W.;
- Sharma, Sandeep;
- Raman, Sumathy;
- Liu, Mengjie;
- Gao, Connie W.;
- Grambow, Colin A.;
- Goldman, Mark J.;
- Ranasinghe, Duminda S.;
- Gillis, Ryan J.;
- Payne, A. Mark;
- Li, Yi‐Pei;
- Dong, Xiaorui;
- Spiekermann, Kevin A.;
- Wu, Haoyang;
- Dames, Enoch E.;
- Buras, Zachary J.;
- Vandewiele, Nick M.;
- Yee, Nathan W.
Publication type:
Article
Uncertainty analysis of correlated parameters in automated reaction mechanism generation.
Published in:
International Journal of Chemical Kinetics, 2020, v. 52, n. 4, p. 266, doi. 10.1002/kin.21348
By:
- Gao, Connie W.;
- Liu, Mengjie;
- Green, William H.
Publication type:
Article