Dataset icon

Dataset

Data for DPhil Thesis: 'The Reactivity of Strained Carbocycles' by Alistair J Sterling

Alternative title:
Sterling_thesis_data

Actions


Access Document


Files:

Authors/Creators


More by this author/creator
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Organic Chemistry
Research group:
F Duarte and E Anderson groups
Oxford college:
University College
Role:
Depositor, Creator
ORCID:
0000-0002-3571-1094
More from this funder
Programme:
EPSRC Centre for Doctoral Training in Synthesis for Biology and Medicine
Grant:
EP/S013172/1
Publisher:
University of Oxford
Publication date:
2021
Digital size:
570KB
File format:
.xyz; .xlsx; .csv; .py; .png
Digital storage location:
Please enquire to Alistair Sterling (alistair.sterling@chem.ox.ac.uk) or Fernanda Duarte (fernanda.duartegonzalez@chem.ox.ac.uk)
DOI:
Language:
English
Keywords:
Subjects:
Documentation:
These data contain three directories, corresponding to Chapter 2–4 of the DPhil Thesis of Alistair J Sterling. Each directory contains Cartesian coordinates of all calculated stationary points as xyz files, as well as an Excel spreadsheet containing the energies of all calculated species. Additionally, /Chapter2/ contains a directory 'MOJ_plot' which contains a Python 3 script 'main.py' and csv file 'data.csv' to generate the More O'Ferrall Jencks plot, and /Chapter4/ contains a directory 'ML... Expand documentation
Deposit date:
2021-09-24

Terms of use


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP