User Guide
*More info about the columns in the bottom of the website*
CSV file
*More info about the columns in the bottom of the website*
Sample N. | Concentration | AD1 | AD3 | AD7 | AD9 | AD14 | AD16 | AD17 | AD22 | AD27 | AD45 |
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Concentration: Concentration of NPs in μg/mL |
AD1: Log10 of all atoms in the NP |
AD3: Log10 of all atoms in the surface |
AD7: The average difference of the potential energy between core and shell atoms in eV |
AD9: The average coordination parameter of all atoms |
AD14: The average coordination parameter (3Ang) of all atoms |
AD16: The average coordination parameter (3Ang) of the shell atoms |
AD17: The average difference of the coordination parameter (3Ang) between core and shell atoms |
AD22: The average difference of the coordination parameter (4Ang) between core and shell atoms |
AD27: The average difference of the coordination parameter (5Ang) between core and shell atoms |
AD45: The average difference of the CNP (3Ang) between core and shell atoms |
The necessary atomistic descriptors can be calculated using the ASCOT toolbox |
This work project has received funding from European Union Horizon 2020 Programme (H2020) via SABYDOMA research infrastructure project under grant agreement nº 862296