Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings

Magnetically induced current susceptibilities and current pathways have been calculated for molecules consisting of two pentalene groups annelated with a benzene ( 1 ) or naphthalene ( 2 ) moiety. Current strength susceptibilities have been obtained by numerically integrating separately the diatropi...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2016-06, Vol.18 (23), p.15934-15942
Hauptverfasser:	Sundholm, Dage, Berger, Raphael J. F, Fliegl, Heike
Format:	Artikel
Sprache:	eng
Schlagworte:	Benzene Chemical bonds Current density Hydrocarbons Mathematical analysis Naphthalene Pathways Ring currents
Online-Zugang:	Volltext
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