Concurrence between current density, nucleus-independent chemical shifts, and aromatic stabilization energy: The case of isomeric [4]- and [5]phenylenes

Journal of Organic Chemistry

Volumn 78, Issue 15, 2013, Pages 7544-7553

  Gershoni Poranne, Renana ^a   Gibson, Christopher M ^b   Fowler, Patrick W ^b   Stanger, Amnon ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^b UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC STABILIZATION ENERGIES; AROMATICITIES; COMPUTATIONAL LEVEL; DIFFERENTIAL STRAIN; FOUR-MEMBERED RINGS; NUCLEUS-INDEPENDENT CHEMICAL SHIFTS; POLYCYCLIC SYSTEMS; RELATIVE ENERGIES;

AROMATIC COMPOUNDS; AROMATIZATION; CHEMICAL SHIFT;

ISOMERS;

AROMATIC AMINE; PHENYLENE DERIVATIVE; POLYCYCLIC AROMATIC COMPOUND; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANALYTIC METHOD; AROMATIZATION; ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPUTATIONAL FLUID DYNAMICS; CONTROLLED STUDY; CORRELATION ANALYSIS; CURRENT DENSITY ANALYSIS; ENERGY; HUCKEL LONDON REACTION; ISOMER; ISOMERIZATION; MOLECULAR STABILITY; NUCLEUS INDEPENDENT CHEMICAL SHIFT; PROTON NUCLEAR MAGNETIC RESONANCE; RING OPENING;

EID: 84881239494     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo4011014     Document Type: Article

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