Analysis of aromatic delocalization: Individual molecular orbital contributions to nucleus-independent chemical shifts

Journal of Physical Chemistry A

Volumn 107, Issue 33, 2003, Pages 6470-6475

  Heine, Thomas ^a   Ragué Schleyer, Paul V ^b   Corminboeuf, Clémence ^c   Seifert, Gotthard ^a   Reviakine, Roman ^d   Weber, Jacques ^c  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF GEORGIA   (United States)

^c UNIVERSITY OF GENEVA   (Switzerland)

^d INSTITUTE OF CHEMISTRY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; ELECTRONS; MAGNETIC SHIELDING; NUCLEAR MAGNETIC RESONANCE;

MOLECULAR ORBITALS (MO);

ELECTRONIC STRUCTURE;

EID: 0042879754     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp035163z     Document Type: Article

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