Diagnosis of magnetoresponsive aromatic and antiaromatic zones in three-membered rings of d- and f-block elements

Journal of Computational Chemistry

Volumn 31, Issue 2, 2010, Pages 431-446

  Tsipis, Athanassios C ^a   Depastas, Ioannis G ^b   Karagiannis, Efstathios E ^b   Tsipis, Constantinos A ^b  

^a UNIVERSITY OF IOANNINA   (Greece)

^b ARISTOTLE UNIVERSITY OF THESSALONIKI   (Greece)

Author keywords

Antiaromatic zones; Aromatic zones; Aromaticity; Aromaticity of d And f block clusters; DFT calculations; NICSzz scan profiles

Indexed keywords

AROMATIC COMPONENTS; AROMATIC SYSTEM; AROMATICITIES; D-BLOCK ELEMENTS; DFT CALCULATION; EARLY TRANSITION METALS; ELECTRONIC STRUCTURE CALCULATIONS; MAGNETIC RESPONSE; NUCLEUS INDEPENDENT CHEMICAL SHIFTS; RING CURRENTS; SELECTION RULES; THREE-MEMBERED RINGS;

AROMATIC COMPOUNDS; CERIUM; CERIUM COMPOUNDS; CHLORINE COMPOUNDS; ELECTRONIC STRUCTURE; MERCURY (METAL); METALS; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS; YTTERBIUM;

AROMATIZATION;

EID: 76149129683     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.10021/jcc.21327     Document Type: Article

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