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Nanoscale π–π stacked molecules are bound by collective charge fluctuations

Non-covalent π−π interactions are central to chemical and biological processes, yet the full understanding of their origin that would unite the simplicity of empirical approaches with the accuracy of quantum calculations is still missing. Here we employ a quantum-mechanical Hamiltonian model for van...

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Pubblicato in:Nat Commun
Autori principali: Hermann, Jan, Alfè, Dario, Tkatchenko, Alexandre
Natura: Artigo
Lingua:Inglês
Pubblicazione: Nature Publishing Group 2017
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5309697/
https://ncbi.nlm.nih.gov/pubmed/28169280
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/ncomms14052
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