Data Supporting "Resolving Sub-Angstrom Ambient Motion through Reconstructions from Vibrational Spectra"

Name: Data Supporting "Resolving Sub-Angstrom Ambient Motion through Reconstructions from Vibrational Spectra"
Published: 2022-04-29T09:45:44Z
Keywords: nanoparticles, single molecule, SERS, adatom, coordination bonds, DFT, reconstruction

Griffiths, Jack; Foldes, Tamas; de Nijs, Bart; Chikkaraddy, Rohit; Wright, Demelza; Deacon, William; Berta, Denes; Readman, Charlie; Grys, David; Rosta, Edina; Baumberg, Jeremy

doi:10.17863/CAM.76655

Data Supporting "Resolving Sub-Angstrom Ambient Motion through Reconstructions from Vibrational Spectra"

Repository URI

https://www.repository.cam.ac.uk/handle/1810/336608

Repository DOI

https://doi.org/10.17863/CAM.76655

Files

Supporting_Data.zip (5.98 MB)

Type

Dataset

Authors

Griffiths, Jack

Foldes, Tamas

de Nijs, Bart

Chikkaraddy, Rohit

https://orcid.org/0000-0002-3840-4188

Wright, Demelza

Description

Experimental and computational data to support the associated manuscript. This includes Raman scattering spectra taken using a 633nm laser and described in detail in the manuscript. Also includes the results of Density Functional Theory Calculations as described in detail in the manuscript. All data provided as .txt and .csv with README.txt files to explain each file.

Software / Usage instructions

No special software is required to read these files, which are all provided as .txt or .csv with associated README.txt files. Density Function Theory calculations within the dataset were generated using the Gaussian09 software.