Ab initio and DFT study of the aromaticity of some Fulvalenes derived from Methylidenecyclopropabenzene

Journal of Molecular Modeling

Volumn 13, Issue 8, 2007, Pages 919-926

  Montero Campillo, M Merced ^a   Rodríguez Otero, Jesús ^a   Cabaleiro Lago, E M ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

Aromaticity; Fulvalenes; Magnetic properties

Indexed keywords

AROMATIC COMPOUND; FULVALENE DERIVATIVE; METHYLIDENECYCLOPROPABENZENE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANISOTROPY; AROMATIZATION; ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; MAGNETISM; MOLECULAR MODEL; MOLECULE; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE;

BENZENE DERIVATIVES; CYCLOPENTANES; CYCLOPROPANES; HYDROCARBONS, AROMATIC; MAGNETIC RESONANCE SPECTROSCOPY; MAGNETICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; THERMODYNAMICS;

AVES;

EID: 34447097184     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0211-x     Document Type: Article

References (14)

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