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
Idioma:anglès
Publicat: Taylor & Francis 2025
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Accés en línia:https://library.oapen.org/handle/20.500.12657/101207
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