Radical−Molecule Reactions HCO/HOC + C2H2: Mechanistic Study
Author:
Affiliation:
1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People's Republic of China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0442854
Reference39 articles.
1. An ab initio SCF‐CI study of anharmonic vibrational effects in the HCO–HOC radical pair
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3. Theoretical characterization of the potential energy surface of the ground state of the HCO system
4. Ab initio calculations of electronic and vibrational energies of HCO and HOC
5. Ab Initio Investigation of the Structure of the X2A′, A2A″(12Π) Spectral System of HCO: Theoretical Treatment of the Vibronic and Spin-Orbit-Coupling
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