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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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Bibliografske podrobnosti
izdano v:Nat Commun
Main Authors: Hermann, Jan, Alfè, Dario, Tkatchenko, Alexandre
Format: Artigo
Jezik:Inglês
Izdano: Nature Publishing Group 2017
Teme:
Online dostop: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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