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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...

詳細記述

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書誌詳細
出版年:Nat Commun
主要な著者: Hermann, Jan, Alfè, Dario, Tkatchenko, Alexandre
フォーマット: Artigo
言語:Inglês
出版事項: Nature Publishing Group 2017
主題:
オンライン・アクセス: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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