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Pros and cons
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Classroom Contents
NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes
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- 1 Intro
- 2 Kinetics and dynamics of spin-dependent processes
- 3 Statistical theory vs molecular dynamics
- 4 Pros and cons
- 5 AIMS dynamics vs statistical theory
- 6 Nonadiabatic statistical theory (NAST)
- 7 NAST code: General structure
- 8 ISC in tunneling regime 4000
- 9 Hydrogen-elimination desorption reaction of ethyl on Si(100)
- 10 Multi-state reaction mechanism
- 11 Summary
- 12 Quantum Tunneling
