NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes
Author:
Funder
Directorate for Mathematical and Physical Sciences
Publisher
Springer Science and Business Media LLC
Subject
General Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s41061-022-00366-w.pdf
Reference98 articles.
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3. Sun Y, Tang H, Chen K et al (2016) Two-state reactivity in low-valent iron-mediated C-H activation and the implications for other first-row transition metals. J Am Chem Soc 138:3715–3730. https://doi.org/10.1021/jacs.5b12150
4. Lykhin AO, Kaliakin DS, DePolo GE et al (2016) Nonadiabatic transition state theory: application to intersystem crossings in the active sites of metal-sulfur proteins. Int J Quantum Chem 116:750–761. https://doi.org/10.1002/qua.25124
5. Goodrow A, Bell AT, Head-Gordon M (2009) Are spin-forbidden crossings a bottleneck in methanol oxidation? J Phys Chem C 113:19361–19364. https://doi.org/10.1021/jp906603r
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