Some Observations on Triplet Ground-States in the Context of ‘Topological’ (HLPM) Ring-Currents in Conjugated Systems
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DOI: 10.5562/cca3538
Abstract: When the quasi graph-theoretical Hückel–London–Pople–McWeeny (HLPM) approach is used to calculate ‘topological’ π-electron ring-currents and bond-currents in conjugated hydrocarbons, a problem is identified that occurs whenever application of the Aufbau process gives rise to a… read more here.
Keywords: ground; hlpm; ring currents; triplet ground ... See more keywords