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Dataset supporting a thesis: Developing and Evaluating Implicit Solvent Models for Catalytic Metallic Surfaces

Dataset supporting a thesis: Developing and Evaluating Implicit Solvent Models for Catalytic Metallic Surfaces
Dataset supporting a thesis: Developing and Evaluating Implicit Solvent Models for Catalytic Metallic Surfaces
Condensed data used in PhD thesis and associated publications. The data is by and large consists of input and output files associated with each chapter of the PhD. thesis and the two publications. The data should be replicable with the latest version of the associated codes. The change in variables for the relevant tests are logged in the input files and file names. Licenses/restrictions placed on the data, or limitations of reuse: CC BY
University of Southampton
Bramley, Gabriel, Adrian
3ed28a08-44fe-4c51-bd9e-7a9309247c1b
Skylaris, Chris-Kriton
8f593d13-3ace-4558-ba08-04e48211af61
Nguyen, Manh-Thuong
f23d7bcc-bd50-45be-b8a1-47bba541a65e
Rousseau, Roger
67dc6e83-18da-4fe5-b61c-a08ef9bc853a
Glezakou, Vassiliki-Alexandra
9f0e0406-d781-40ef-a9c4-83d2a26944b1
Bramley, Gabriel, Adrian
3ed28a08-44fe-4c51-bd9e-7a9309247c1b
Skylaris, Chris-Kriton
8f593d13-3ace-4558-ba08-04e48211af61
Nguyen, Manh-Thuong
f23d7bcc-bd50-45be-b8a1-47bba541a65e
Rousseau, Roger
67dc6e83-18da-4fe5-b61c-a08ef9bc853a
Glezakou, Vassiliki-Alexandra
9f0e0406-d781-40ef-a9c4-83d2a26944b1

Bramley, Gabriel, Adrian (2022) Dataset supporting a thesis: Developing and Evaluating Implicit Solvent Models for Catalytic Metallic Surfaces. University of Southampton doi:10.5258/SOTON/D2264 [Dataset]

Record type: Dataset

Abstract

Condensed data used in PhD thesis and associated publications. The data is by and large consists of input and output files associated with each chapter of the PhD. thesis and the two publications. The data should be replicable with the latest version of the associated codes. The change in variables for the relevant tests are logged in the input files and file names. Licenses/restrictions placed on the data, or limitations of reuse: CC BY

Text
README.txt - Text
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Archive
condensed_thesis_data_final.zip - Dataset
Available under License Creative Commons Attribution.
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Other
condensed data - Dataset
Available under License Creative Commons Attribution.
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More information

Published date: 21 June 2022
Learn more about School of Chemistry research

Identifiers

Local EPrints ID: 457861
URI: http://eprints.soton.ac.uk/id/eprint/457861
DOI: doi:10.5258/SOTON/D2264
PURE UUID: 92aa6b22-bc3d-4cc0-baf8-c15c44e45142
ORCID for Chris-Kriton Skylaris: ORCID iD orcid.org/0000-0003-0258-3433

Catalogue record

Date deposited: 21 Jun 2022 16:51
Last modified: 06 May 2023 01:42

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Contributors

Creator: Gabriel, Adrian Bramley
Research team head: Chris-Kriton Skylaris ORCID iD
Contributor: Manh-Thuong Nguyen
Contributor: Roger Rousseau
Contributor: Vassiliki-Alexandra Glezakou

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