Rovibrational Energies of the Hydrocarboxyl Radical from a RCCSD(T) Study
Author:
Affiliation:
1. Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, Université Paris-Est, 5 bd Descartes, 77454 Marne la Vallée, France
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp401151n
Reference56 articles.
1. Rate measurements of reactions of OH by resonance absorption. Part 2.—Reactions of OH with CO, C2H4and C2H2
2. The mechanism of the OH + CO reaction and the stability of the HOCO radical
3. A photoionization study of the COOH species
4. Real‐time clocking of bimolecular reactions: Application to H+CO2
5. Reactions of trans-hydroxycarbonyl radical studied by infrared spectroscopy
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1. High-resolution infrared spectroscopy of jet cooled trans-deuteroxycarbonyl (trans-DOCO) radical;The Journal of Chemical Physics;2019-05-21
2. Full-dimensional quantum mechanics calculations for the spectroscopic characterization of the isomerization transition states of HOCO/DOCO systems;Physical Chemistry Chemical Physics;2018
3. The Rovibrational Spectra of trans- and cis-HOCO, Calculated by MULTIMODE with ab Initio Potential Energy and Dipole Moment Surfaces;The Journal of Physical Chemistry A;2017-02-17
4. Analytic energy-level densities of separable harmonic oscillators including approximate hindered rotor corrections;AIP Advances;2016-09
5. Full-dimensional characterization of photoelectron spectra of HOCO−and DOCO−and tunneling facilitated decay of HOCO prepared by anion photodetachment;The Journal of Chemical Physics;2014-05-14
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