The electronic structure of the benzene molecule

The electronic structure of the benzene molecule

Item
http://www.wikidata.org/entity/Q55954260
Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theoryThe unusual electronic mechanism of the [1,5] hydrogen shift in (Z)-1,3-pentadiene predicted by modern valence bond theory.Electron conjugation versus π-π repulsion in substituted benzenes: why the carbon-nitrogen bond in nitrobenzene is longer than in aniline.Magnetic properties and aromaticity of o-, m-, and p-benzyne.Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization.Tractable spin-pure methods for bond breaking: Local many-electron spin-vector sets and an approximate valence bond model.Post-modern valence bond theory for strongly correlated electron spins.Chemical bonding motifs from a tiling of the many-electron wavefunction.Generation of Kekulé valence structures and the corresponding valence bond wave function.D2BIA-flexible, not (explicitly) arbitrary and reference/structurally invariant-a very effective and improved version of the D3BIA aromaticity index.Hexasilabenzene (Si6H6). Is the benzene‐like D6h structure stable?Spin correlation function of benzene and naphthalene from spin-coupled wave functions
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The electronic structure of the benzene molecule

Item
http://www.wikidata.org/entity/Q55954260
description
article publié dans la revue scientifique Nature
@fr
наукова стаття, опублікована в жовтні 1986
@uk
name
The electronic structure of the benzene molecule
@en
type
label
The electronic structure of the benzene molecule
@en
prefLabel
The electronic structure of the benzene molecule
@en
P1433
P1476
P2093
P2888
P304
P31
P356
P407
P433
P478
P577
P6179
P356
P1433
P1476
The electronic structure of the benzene molecule
@en
P2093
P2888
P304
P31
P356
P407
P433
P478
P577
P6179