READ ME File For 'Computational studies of metallic nanoparticles applicable to heterogeneous catalysis'

Dataset DOI: 10.5258/SOTON/D0970

ReadMe Author: Lucas Garcia Verga, University of Southampton

This dataset supports the thesis entitled: Computational studies of metallic nanoparticles applicable to heterogeneous catalysis
AWARDED BY: Faculty of Engineering and Physical Sciences
DATE OF AWARD: 27/06/2019

DESCRIPTION OF THE DATA

The data was obtained with DFT calculations performed with the ONETEP package


This dataset contains: A tar file for each chapter with the input and output files for the calculations described in the thesis



Date of data collection: from June/2015 to June/2019

Information about geographic location of data collection: University of Southampton, U.K.


Related projects/Funders:
The project was supported by Brazilian Government's Science Without Borders Programme (CNPQ: 206419/2014-7)


Date that the file was created: June, 2019