Some observations on triplet ground-states in the context of 'topological' (HLPM) ring-currents in conjugated systems
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 π-electronic ground-st...
Permalink: | http://skupni.nsk.hr/Record/nsk.NSK01001074293 |
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Matična publikacija: |
Croatica chemica acta (Online) 92 (2019), 4 ; str. 445-455 |
Glavni autori: | Dickens, Timothy K. (Author), Mallion, Roger B. |
Vrsta građe: | e-članak |
Jezik: | eng |
Predmet: | |
Online pristup: |
https://doi.org/10.5562/cca3538 Hrčak |
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https://doi.org/10.5562/cca3538Hrčak