A MINDO/3 harmonic force field for pyrazine. In-plane Ag and B3u vibrations
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference6 articles.
1. The molecular structure of pyrazine as determined from gas-phase electron diffraction data
2. Vapour and crystal spectra in polarized light of pyrazine-d0, cis pyrazine-d2 and pyrazine-d4
3. a Program FORCE by A. Komornicki, supplied by S. Olivella, University of Barcelona, Spain.
4. Ground states of molecules. 37. MINDO/3 calculations of molecular vibration frequencies
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2. Vibrational spectroscopic and quantum chemical study of the chlorine substitution of pyrazine;Journal of Molecular Structure: THEOCHEM;2003-08
3. A comparative study on the vibrational spectroscopy of pyridazine, pyrimidine and pyrazine;Journal of Molecular Structure: THEOCHEM;1998-02
4. Symmetrised quantum-mechanical force-fields and INS spectra: s-triazine, trichloro-s-triazine and pyrazine;Chemical Physics;1997-04
5. Ab initio calculations of the ultraviolet resonance Raman spectra of uracil;Journal of Computational Chemistry;1995-10
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