Does Kekulene have Kekulé vibrational modes?

DOI: 10.14469/hpc/6226 Metadata

Created: 2019-10-19 08:25

Last modified: 2019-10-29 09:56

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Increasingly, individual small molecules are having their structures imaged using STM, including cyclo[18]carbon that I recently discussed. The latest one receiving such treatment is Kekulene.

Member of collection / collaboration

DOIDescription
10.14469/hpc/177 Computation data for Henry Rzepa's blog

Members

DOIDescription
10.14469/hpc/6224 Kekulene, b3lyp+GD3BJ/Def2-TZVPP
10.14469/hpc/6225 Kekulene, wB97XD/Def2-TZVPP
10.14469/hpc/6228 Kekulene, b3lyp+GD3BJ/Def2-TZVPP, D3d

Associated DOIs

Current dataset ...DOIDescription
isReferencedBy 10.14469/hpc/6227 Does Kekulene have Kekulé vibrational modes? Yes!

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