Comparisons of [pi]-Electron Ring-Current and Bond-Current Patterns Calculated by Topological ('HLPM') and Ab Initio ('Ipso-Centric') Formalisms for Two Isomeric Conjugated Hydrocarbons, Corazulene and Cornaphthalene

The π-electron ring-currents and bond-currents associated with the isomeric structures corazulene (1) and cornaphthalene (2) are calculated by means of the rudimentary topological Hückel-London-Pople-McWeeny (HLPM) method (which is entirely equivalent to the recently named 'graph-theoretical CD...

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Veröffentlicht in:	Croatica chemica acta 2015-07, Vol.88 (3), p.221
Hauptverfasser:	Dickens, T K, Mallion, R B
Format:	Artikel
Sprache:	eng
Schlagworte:	Graph theory Hydrocarbons Morphology Topology
Online-Zugang:	Volltext
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