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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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Bibliografiske detaljer
Udgivet i:Nat Commun
Main Authors: Hermann, Jan, Alfè, Dario, Tkatchenko, Alexandre
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group 2017
Fag:
Online adgang: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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