The electronic structure and properties
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Alan Hinchliffe
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Article
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1977
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John Wiley and Sons
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English
β 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 oneβelectron properties are compared across the series in order to investigate th