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A Benchmark Comparison of σ/σ and π/π Dispersion: The Dimers of Naphthalene and Decalin, and Coronene and Perhydrocoronene

Stacking interaction between π systems is a well recognized structural motif but stacking between σ systems was long considered of secondary importance. A recent paper points out that σ stacking can reach the energy of chemical bonds, and concludes that “σ/σ and π/π interactions are equally importan...

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Main Authors: JANOWSKI, TOMASZ, PULAY, PETER
Formato: Artigo
Idioma:Inglês
Publicado: 2012
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3488446/
https://ncbi.nlm.nih.gov/pubmed/23009181
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja303676q
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