A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings

Journal of Computational Chemistry

Volumn 32, Issue 11, 2011, Pages 2422-2431

  Foroutan Nejad, Cina ^a   Shahbazian, Shant ^b   Feixas, Ferran ^c   Rashidi Ranjbar, Parviz ^a   Solà, Miquel ^c  

^a UNIVERSITY OF TEHRAN   (Iran)

^b SHAHID BEHESHTI UNIVERSITY   (Iran)

^c UNIVERSITY OF GIRONA   (Spain)

Author keywords

aromaticity; electron density; magnetic shielding; ring current model

Indexed keywords

AROMATICITIES; CLASSICAL ELECTRODYNAMICS; CURRENT LOOP; ELECTRON DENSITIES; GENERAL APPROACH; INORGANIC MOLECULES; MAGNETIC AROMATICITY; MODEL-BASED OPC; ORBITALS; RING CURRENT MODEL; RING CURRENTS;

CARRIER CONCENTRATION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS;

ELECTRON DENSITY MEASUREMENT;

EID: 79958850114     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21824     Document Type: Article

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