The Rovibrational Spectra of trans- and cis-HOCO, Calculated by MULTIMODE with ab Initio Potential Energy and Dipole Moment Surfaces
Author:
Affiliation:
1. Cherry L. Emerson Center for Scientific Computation, Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States
Funder
Army Research Office
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b13013
Reference33 articles.
1. HOCO Radical Chemistry
2. Spectroscopy and dynamics of the HOCO radical: insights into the OH + CO → H + CO2 reaction
3. Mapping the OH+CO→HOCO reaction pathway through IR spectroscopy of the OH–CO reactant complex
4. The last mile of molecular reaction dynamics virtual experiments: the case of the OH(N = 1–10) + CO(j = 0–3) reaction
5. The vibrational spectrum of the t‐HOCO free radical trapped in solid argon
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