Roaming dynamics in highly excited-state unimolecular and complex bimolecular reactions
- 5 May 2026
- journal article
- review article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 28 (21) , 12704-12719
Abstract
Full-dimensional simulations reveal roaming as a general, nontraditional pathway. Its distinctive dynamics and energy redistribution significantly affect product branching and reaction rates, beyond the conventional minimum-energy-path paradigm.Keywords
Funding Information
- National Natural Science Foundation of China (2021ZD0303305)
- National Natural Science Foundation of China (22288201)
- National Natural Science Foundation of China (22525304)
This publication has 95 references indexed in Scilit:
- New Algorithms to Generate Permutationally Invariant Polynomials and Fundamental Invariants for Potential Energy Surface FittingJournal of Chemical Theory and Computation, 2025
- Surprising Dynamics Phenomena in the Diels–Alder Reaction of C60 Uncovered with AIThe Journal of Organic Chemistry, 2024
- OH Roaming during the Ozonolysis of α-Pinene: A New Route to Highly Oxygenated Molecules?The Journal of Physical Chemistry A, 2023
- Beyond the rule of transition state: Identification of roaming routes in some cases of carbonyl compoundsJournal of the Chinese Chemical Society, 2021
- Reactions in Tirapazamine Induced by the Attachment of Low‐Energy Electrons: Dissociation Versus Roaming of OHAngewandte Chemie International Edition, 2020
- Reactions between Criegee Intermediates and the Inorganic Acids HCl and HNO3: Kinetics and Atmospheric ImplicationsAngewandte Chemie International Edition, 2016
- Rate Coefficients of C1 and C2 Criegee Intermediate Reactions with Formic and Acetic Acid Near the Collision Limit: Direct Kinetics Measurements and Atmospheric ImplicationsAngewandte Chemie International Edition, 2014
- Multiple transition states and roaming in ion–molecule reactions: A phase space perspectiveChemical Physics Letters, 2014
- Atmospheric Formation of OH Radicals and H2O2 from Alkene Ozonolysis under Humid ConditionsChemphyschem, 2002
- Rate Coefficients in the C/H/O System1984