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Data related to conformation dependence of tyrosine binding on the surface of graphene: Bent prefers over parallel orientation
In this data article, M06-2X/6-31G(d) level optimized geometries of complexes of tyrosine conformers binding with graphene sheets are shown in top and side views with selected non-bonding distances. The images of frontier molecular orbitals from HOMO-15 to LUMO+15 of the complexes involving graphene...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6744554/ https://www.ncbi.nlm.nih.gov/pubmed/31534991 http://dx.doi.org/10.1016/j.dib.2019.104420 |