Chapter 3 Variants of Gentlest Ascent Dynamics for Transition States
Based on the calculation of transition states and the identification of transition paths, this book aims to provide a comprehensive guide to understanding and simulating rare events. The author introduces both fundamental concepts of transition states and pathways and advanced computational techniqu...
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| Format: | Online |
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| Jezik: | engleski |
| Izdano: |
Taylor & Francis
2025
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| Teme: | |
| Online pristup: | https://library.oapen.org/handle/20.500.12657/101207 |
| Oznake: |
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