Variational Calculations of Vibrational Energies and IR Spectra of trans- and cis-HOCO Using New ab Initio Potential Energy and Dipole Moment Surfaces-Reference-Cited by-同舟云学术

Variational Calculations of Vibrational Energies and IR Spectra of trans- and cis-HOCO Using New ab Initio Potential Energy and Dipole Moment Surfaces

Published:2012-11-28 Issue:39 Volume:117 Page:9343-9352
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Wang Yimin¹,Carter Stuart¹,Bowman Joel M.¹

Affiliation:

1. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp309911w

Reference36 articles.

1. HOCO Radical Chemistry

2. Electron Affinities, Well Depths, and Vibrational Spectroscopy of cis- and trans-HOCO

3. The trans-HOCO radical: Quartic force fields, vibrational frequencies, and spectroscopic constants

4. Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: The radical and the anion

5. Infrared Spectrum and Structure of Intermediates in the Reaction of OH with CO

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