Popular theoretical methods predict benzene and arenes to be nonplanar

Journal of the American Chemical Society

Volumn 128, Issue 29, 2006, Pages 9342-9343

  Moran, Damian ^a,b   Simmonett, Andrew C ^a   Leach III, Franklin E ^a   Allen, Wesley D ^a   Schleyer, Paul V R ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

^b UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ANTHRACENE DERIVATIVE; BENZENE; CATION; CYCLOPENTADIENYL DERIVATIVE; INDENE DERIVATIVE; INDENYL ANION; NAPHTHALENE DERIVATIVE; POLYCYCLIC AROMATIC HYDROCARBON; PYRIDINE DERIVATIVE; TROPYLIUM CATION; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; ENERGY; PREDICTION; THEORETICAL STUDY;

EID: 33746399045     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0630285     Document Type: Article

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