Automated Transition State Theory Calculations for High-Throughput Kinetics von Bhoorasingh, Pierre L, Slakman, Belinda L, Seyedzadeh Khanshan, Fariba, Cain, Jason Y, West, Richard H

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Developing detailed kinetic models of syngas production from bio-oil gasification using Reaction Mechanism Generator (RMG) von Seyedzadeh Khanshan, Fariba, West, Richard H.

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Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges von Van de Vijver, Ruben, Vandewiele, Nick M., Bhoorasingh, Pierre L., Slakman, Belinda L., Seyedzadeh Khanshan, Fariba, Carstensen, Hans-Heinrich, Reyniers, Marie-Françoise, Marin, Guy B., West, Richard H., Van Geem, Kevin M.

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Automated transition state theory calculations for high-throughput kinetics von Bhoorasingh, Pierre L, Slakman, Belinda L, Khanshan, Fariba Seyedzadeh, Cain, Jason Y, West, Richard H

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Kinetic data for manuscript describing the AutoTST algorithm for automated Transition State Theory calculations of chemical reaction rates von Bhoorasingh, Pierre, Slakman, Belinda, Khanshan, Fariba Seyedzadeh, Cain, Jason, West, Richard

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