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Automated Reaction Kinetics and Network Exploration (arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software

Alon Grinberg Dana,Matthew S. Johnson,Joshua W. Allen,Sandeep Sharma,Sumathy Raman,Mengjie Liu,Connie W. Gao,Colin A. Grambow,Mark J. Goldman,Duminda S. Ranasinghe,Ryan J. Gillis,A. Mark Payne,Yi-Pei Li,Xiaorui Dong,Kevin A. Spiekermann,Haoyang Wu,Enoch E. Dames,Zachary J. Buras,Nick M. Vandewiele,Nathan W. Yee,Shamel S. Merchant,Beat Buesser,Caleb A. Class,Franklin Goldsmith,Richard H. West,William H. Green

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS（2023）

Cited 23|Views37
Key words
chemical kinetics,pressure-dependent reactions,potential energy surface,reaction mechanism generator,sensitivity analysis,statistical mechanics
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