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...

Full description

Saved in:
Bibliographic Details
Format: Online
Language:English
Published: Taylor & Francis 2025
Subjects:
Online Access:https://library.oapen.org/handle/20.500.12657/101207
Tags: Add Tag
No Tags, Be the first to tag this record!