Reaction Dynamics of O(3P) + Propyne: II. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Ab Initio Coupled Triplet/Singlet Potential Energy Surfaces and Statistical Calculations
Author:
Affiliation:
1. Politecnico di Milano, Dipartimento di Chimica, Materiali e Ingegneria Chimica “Giulio Natta”, 20131 Milano, Italy
2. Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123 Perugia, Italy
Funder
Ministero dell’Istruzione, dell’Università e della Ricerca
Fondazione Cassa di Risparmio di Perugia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b01564
Reference52 articles.
1. Reaction of Oxygen Atoms with Ethylene
2. Reaction of oxygen atoms with olefins
3. New mechanistic insights to the O(3P) + propene reaction from multiplexed photoionization mass spectrometry
4. Experimental and Theoretical Studies on the Dynamics of the O(3P) + Propene Reaction: Primary Products, Branching Ratios, and Role of Intersystem Crossing
5. Probing the dynamics of polyatomic multichannel elementary reactions by crossed molecular beam experiments with soft electron-ionization mass spectrometric detection
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