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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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Detalles Bibliográficos
Autores principales: Hermann, Jan, Alfè, Dario, Tkatchenko, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5309697/
https://www.ncbi.nlm.nih.gov/pubmed/28169280
http://dx.doi.org/10.1038/ncomms14052