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A comparison of the electronic structure and properties of pyrimidine and its lowest energy 2B2 cation

✍ Scribed by Alan Hinchliffe


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
471 KB
Volume
10
Category
Article
ISSN
0368-2048

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The electronic structure and properties
✍ Alan Hinchliffe πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 373 KB

## Abstract Gaussian orbital LCAO MO calculations are reported for pyrazine in its ground and first excited triplet state, together with calculations on its anion and cation. Energies, population analysis indices, and one‐electron properties are compared across the series in order to investigate th