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...

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Detalles Bibliográficos
Autores principales: Daggag, Dalia, Lazare, Jovian, Dinadayalane, Tandabany
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Materials Science
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

Internet

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

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