Chemical Reactions: A Journey into Phase Space

Authors: Agaoglou, Makrina; Aguilar-Sanjuan, Broncio; García-Garrido, Victor Jose; García-Meseguer, Rafael; González-Montoya, Francisco; Katsanikas, Matthaios; Krajňák, Vladimir; +2 Authors

doi: 10.5281/zenodo.3568210 , 10.5281/zenodo.3568209

Chemical Reactions: A Journey into Phase Space

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Abstract

Chemistry is concerned with the transformation of matter. In more detail, it is concerned with the breaking, formation, and rearrangement of bonds in molecules. Fundamentally, these descriptions highlight “changes in time”. Mathematically, the study of systems changing in time is the subject of dynamical systems theory. This book represents an account of our research group’s efforts to date in bringing the mathematical framework of dynamical systems theory to bear on chemical reaction dynamics. Link to GitHub repo: https://github.com/champsproject/chem_react_dyn Link to website: chemicalreactions.io

EPSRC Grant Number: EP/P021123/1

Related Organizations

University of Bristol
United Kingdom
University of Alcalá
Spain

Keywords

dynamical-systems, transition-state-theory, chemical-reactions, phase-space-transport

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