Transition state geometry prediction using molecular group contributions von Bhoorasingh, Pierre L, West, Richard H

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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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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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Transition state geometry prediction using molecular group contributionsElectronic supplementary information (ESI) available: Tables of group values, list of test reactions, and 3-... von Bhoorasingh, Pierre L, West, Richard H

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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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