Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices

Journal of Computational Chemistry

Volumn 32, Issue 3, 2011, Pages 386-395

  Heyndrickx, Wouter ^a   Salvador, Pedro ^b   Bultinck, Patrick ^c   Sola, Miquel ^b   Matito, Eduard ^d,e  

^a UNIVERSITY OF BERGEN   (Norway)

^b UNIVERSITY OF GIRONA   (Spain)

^c GHENT UNIVERSITY   (Belgium)

^d AARHUS UNIVERSITY   (Denmark)

^e UNIVERSITY OF SZCZECIN   (Poland)

Author keywords

aromaticity; atomic partition; atoms in molecules; electron sharing index; fuzzy atom; Hirshfeld; Multicenter index; PDI

Indexed keywords

AROMATICITIES; ATOMIC PARTITION; ATOMS-IN-MOLECULES; ELECTRON SHARING INDEX; FUZZY-ATOM; HIRSHFELD; MULTICENTER INDICES; PDI;

AROMATIZATION; MOLECULES; QUANTUM THEORY; THREE DIMENSIONAL;

ATOMS;

EID: 78650468836     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21621     Document Type: Article

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