The electronic structure and properties of pyrazine,its cation,and anion |
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Authors: | Alan Hinchliffe |
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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 the differences in electron distribution. |
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