Gas-phase reactivity of protonated oxazolone: Chemical dynamics simulations and graph theory-based analysis reveal the importance of ion–molecule complexes
ContributorsPerez Mellor, Ariel Francis
; Buergi, Thomas
; Spezia, Riccardo
Published inThe Journal of chemical physics, vol. 162, no. 11, 114313
Publication date2025-03-21
First online date2025-03-21
Abstract
Affiliation entities
Research groups
Funding
- French National Research Agency (ANR) - Development and Application of Direct Dynamics Simulations for Reactivity of Biological Molecules [ANR-14-CE06-0029]
- Canton de Genève
Citation (ISO format)
PEREZ MELLOR, Ariel Francis, BUERGI, Thomas, SPEZIA, Riccardo. Gas-phase reactivity of protonated oxazolone: Chemical dynamics simulations and graph theory-based analysis reveal the importance of ion–molecule complexes. In: The Journal of chemical physics, 2025, vol. 162, n° 11, p. 114313. doi: 10.1063/5.0245766
Main files (1)
Article (Published version)
Identifiers
- PID : unige:192760
- DOI : 10.1063/5.0245766
- PMID : 40116318
Additional URL for this publicationhttps://pubs.aip.org/jcp/article/162/11/114313/3340287/Gas-phase-reactivity-of-protonated-oxazolone
Journal ISSN0021-9606
