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Strong orbital interaction in a weak CH-π hydrogen bonding system
For the first time, the intermolecular orbital interaction between benzene and methane in the benzene-methane complex, a representative of weak interaction system, has been studied by us using ab initio calculations based on different methods and basis sets. Our results demonstrate obvious intermole...
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| Gepubliceerd in: | Sci Rep |
|---|---|
| Hoofdauteurs: | , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Nature Publishing Group
2016
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4772115/ https://ncbi.nlm.nih.gov/pubmed/26927609 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep22304 |
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