Σ and σ vs. π conflicting aromatic pentagonal ring of tungsten with a planar pentacoordinate carbon at the ring center

International Journal of Quantum Chemistry

Volumn 110, Issue 5, 2010, Pages 1086-1091

  Yamaguchi, Wataru ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

aromaticity; Conflicting aromaticity; Nuclear independent chemical shift (NICS); Planar pentacoordinate carbon; Tungsten

Indexed keywords

ANTIAROMATICITY; AROMATICITIES; CARBON ATOMS; CLUSTER IONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; GLOBAL MINIMA; MAGNETIC CRITERION; METAL ATOMS; MOLECULAR DYNAMICS SIMULATIONS; NUCLEAR-INDEPENDENT CHEMICAL SHIFT (NICS); PENTAGONAL RINGS; PLANAR PENTACOORDINATE CARBON;

CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; TUNGSTEN;

AROMATIZATION;

EID: 76649106074     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22094     Document Type: Article

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