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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...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:Sci Rep
Hauptverfasser: Li, Jianfu, Zhang, Rui-Qin
Format: Artigo
Sprache:Inglês
Veröffentlicht: Nature Publishing Group 2016
Schlagworte:
Online Zugang: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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