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Substituent Effects in π-Stacking of Histidine on Functionalized-SWNT and Graphene
Adsorptions of histidine on the functionalized (10,0) single-walled carbon nanotube (SWNT) and graphene were investigated using density function theory methods, M05-2x and DFT-D. The results show that the binding of the histidine ring to the functionalized SWNT is weaker than that to the pristine SW...
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| Publicado no: | Comput Theor Chem |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4407282/ https://ncbi.nlm.nih.gov/pubmed/25914869 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.comptc.2015.03.023 |
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