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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| フォーマット: | Online |
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| 言語: | 英語 |
| 出版事項: |
Taylor & Francis
2025
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| 主題: | |
| オンライン・アクセス: | https://library.oapen.org/handle/20.500.12657/101207 |
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