Automated Transition State Theory Calculations for High-Throughput Kinetics
Bhoorasingh, Pierre L, Slakman, Belinda L, Seyedzadeh Khanshan, Fariba, Cain, Jason Y, West, Richard H
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.09.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.09.2017)
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Journal Article
Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges
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.
Published in International journal of chemical kinetics (01.04.2015)
Published in International journal of chemical kinetics (01.04.2015)
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Journal Article
Automated transition state theory calculations for high-throughput kinetics
Bhoorasingh, Pierre L, Slakman, Belinda L, Khanshan, Fariba Seyedzadeh, Cain, Jason Y, West, Richard H
Published in arXiv.org (30.07.2017)
Published in arXiv.org (30.07.2017)
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