Research Data Leeds Repository

First Principles Modelling of Organic-Inorganic Interfaces in Renal Calculi

Citation

Morris, Rhiannon (2023) First Principles Modelling of Organic-Inorganic Interfaces in Renal Calculi. University of Leeds. [Dataset] https://doi.org/10.5518/1385¹

Dataset description

This dataset holds video files which show the trajectories of AIMD simulations. Or alternatively, 3D representations in a rotating image of geometry optimisations.

Keywords:	Dataset, videos, trajectories
Divisions:	Faculty of Engineering and Physical Sciences > School of Food Science and Nutrition2
Related resources:	Location Type https://etheses.whiterose.ac.uk/33549/3 Ethesis
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	06 Oct 2023 09:52
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/11654
Additional details Additional details Creators or authors: Creators ORCID Other ID Email Primary affiliation Primary affiliation ID Primary affiliation ID type Secondary affiliation Secondary affiliation ID Secondary affiliation ID type Morris, Rhiannon https://orcid.org/0000-0002-4458-14125 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: EPSRC Grant numbers: 2283981 Publication date: 2023 Resource language: English Metadata language: English Publisher: University of Leeds Contact email: fsrwm@leeds.ac.uk6 Last Modified: 20 May 2024 09:50

Files

Documentation

readme-Morris_R_2023.txt [4kB] 7 readme-Morris_R_2023.txt [4kB] 8 readme-Morris_R_2023.txt [4kB] 9 Security: Anyone File name: readme-Morris_R_2023.txt10 Content type: Documentation Mime-Type: text/plain License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 4kB

Data

Chapter7.zip [91MB] 11 Chapter7.zip [91MB] 12 Chapter7.zip [91MB] 13 Security: Anyone File name: Chapter7.zip14 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 91MB

Chapter8.zip [108MB] 15 Chapter8.zip [108MB] 16 Chapter8.zip [108MB] 17 Security: Anyone File name: Chapter8.zip18 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 108MB

• 1. https://doi.org/10.5518/1385
• 2. https://archive.researchdata.leeds.ac.uk/view/divisions/SFSN/
• 3. https://etheses.whiterose.ac.uk/33549/
• 4. https://archive.researchdata.leeds.ac.uk/id/eprint/1165
• 5. https://orcid.org/0000-0002-4458-1412
• 6. mailto:fsrwm@leeds.ac.uk
• 7. https://archive.researchdata.leeds.ac.uk/1165/3/readme-Morris_R_2023.txt
• 8. https://archive.researchdata.leeds.ac.uk/1165/3/readme-Morris_R_2023.txt
• 9. https://archive.researchdata.leeds.ac.uk/1165/3/readme-Morris_R_2023.txt
• 10. https://archive.researchdata.leeds.ac.uk/1165/3/readme-Morris_R_2023.txt
• 11. https://archive.researchdata.leeds.ac.uk/1165/1/Chapter7.zip
• 12. https://archive.researchdata.leeds.ac.uk/1165/1/Chapter7.zip
• 13. https://archive.researchdata.leeds.ac.uk/1165/1/Chapter7.zip
• 14. https://archive.researchdata.leeds.ac.uk/1165/1/Chapter7.zip
• 15. https://archive.researchdata.leeds.ac.uk/1165/2/Chapter8.zip
• 16. https://archive.researchdata.leeds.ac.uk/1165/2/Chapter8.zip
• 17. https://archive.researchdata.leeds.ac.uk/1165/2/Chapter8.zip
• 18. https://archive.researchdata.leeds.ac.uk/1165/2/Chapter8.zip