Ab initio study of the basis set dependence of the structural parameters, relative energies and fundamental frequencies of glyoxal
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference56 articles.
1. An experimental potential energy surface for internal rotation in glyoxal
2. dispersed fluorescence spectra of glyoxal cooled in a supersonic jet: Energy and assignment of 264 S0 vibrational levels
3. Infrared spectrum of cis-glyoxal
4. Use of ab initio computational results and experimental frequencies to construct the internal rotational potential function for acrolein
5. Cis‐glyoxal in effusive and supersonic beams. Spectroscopy, selective pumping, and cis–trans interconversion
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3. The vibrations of glyoxal, studied by ‘Multimode’, with a large amplitude motion, using an ab initio potential surface;Molecular Physics;2001-03-10
4. NIST-JANAF Thermochemical Tables. I. Ten Organic Molecules Related to Atmospheric Chemistry;Journal of Physical and Chemical Reference Data;2001-03
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