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Interactions of Substituted Nitroaromatics with Model Graphene Systems: Applicability of Hammett Substituent Constants To Predict Binding Energies
[Image: see text] Applicability of Hammett parameters (σ(m) and σ(p)) was tested in extended π-systems in gas phase. Three different model graphene systems, viz. 5,5-graphene (GR), 3-B-5,5-graphene (3BGR), and 3-N-5,5-graphene (3NGR), were designed as extended π-systems, and interactions of various...
Autores principales: | Khan, Mehedi H., Leszczynska, Danuta, Majumdar, D., Roszak, Szczepan, Leszczynski, Jerzy |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641519/ https://www.ncbi.nlm.nih.gov/pubmed/31458554 http://dx.doi.org/10.1021/acsomega.7b01912 |
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