ReviewThe journal of physical chemistry letters2024
Nonadiabatic Tunneling in Chemical Reactions.
Review in The journal of physical chemistry letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
5 citing papers in PubMed.
- The Different Levels of Quantum: A Methodological-Philosophical Portrait of Computational Quantum Chemistry.ACS physical chemistry Au · 2026Review
- Nuclear-Electronic Orbital General Rate Theory: Predicting Hydrogen Kinetic Isotope Effects in the Deep Tunneling Regime.Journal of chemical theory and computation · 2026Article
- Identifying Quantum Tunneling at Ambient Temperature through Rate-Driving Force Responsiveness.Journal of the American Chemical Society · 2026Article
- Consistent and Generalizable Effective Model Hamiltonian Framework for Studying Nonadiabatic Dynamics in the Condensed Phase.Journal of chemical theory and computation · 2025Review
- Attosecond spectroscopy of molecular charge transfer uncovers a 1.5-fs delay in population transfer.Nature communications · 2025Article
Corrections and comments
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Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Quantum tunneling can have a dramatic effect on chemical reaction rates. In nonadiabatic reactions such as electron transfers or spin crossovers, nuclear tunneling effects can be even stronger than for adiabatic proton transfers. Ring-polymer instanton theory enables molecular simulations of tunneling in full dimensionality and has been shown to be far more reliable than commonly used separable approximations. First-principles instanton calculations predict significant nonadiabatic tunneling of heavy atoms even at room temperature and give excellent agreement with experimental measurements for the intersystem crossing of two nitrenes in cryogenic matrix isolation, the spin-forbidden relaxation of photoexcited thiophosgene in the gas phase, and singlet oxygen deactivation in water at ambient conditions. Finally, an outlook of further theoretical developments is discussed.
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.