Skip to main
Zenodo home
Communities
My dashboard
Log in Sign up

Zenodo is currently experiencing slowness and intermittent outages due to heavy automated traffic from bots and AI crawlers. We are aware of the problem, and our team is focused on stabilizing the service. Thank you for your patience. More info here.

Published July 5, 2023 | Version v1
Dataset Open

Exo-TS1 (PCM – chlorobenzene) Replication 1

Authors/Creators

  • Lee, Siwoo1 ORCID icon
  • 1. Imperial

Description

Gaussian 16 (C01) calculation

Files

Files (3.8 MB)

Name Size Download all
opt.cml
md5:7a791ba7f47f63e131561ca5aa4c3a6e
3.2 kB Download
swern.fchk
md5:d567b51b07312351b70c9a2dc6bc4cc5
3.4 MB Download
swern1.gjf
md5:1b480eab16d5c43b50c6127073463f1c
911 Bytes Download
swern1.log
md5:0b3d9296235726caaf0767a302aa04ca
372.7 kB Download
62
Views
127
Downloads
Show more details
All versions This version
Views

Total views

62 62
Downloads

Total downloads

127 127
Data volume

Total data volume

138.9 MB 138.9 MB

More info on how stats are collected....

Versions

External resources

Indexed in
  • OpenAIRE

Communities

Keywords and subjects

Keywords

  • -823.396529
  • InChI=1S/C7H7O.C2H5S/c8-6-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2;1H2,2H3
  • FYDBOVZHGMIMCA-UHFFFAOYSA-N

Details

DOI
10.5281/zenodo.8116251
DOI Badge

DOI

10.5281/zenodo.8116251

Markdown

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.8116251.svg)](https://doi.org/10.5281/zenodo.8116251)

reStructuredText

.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.8116251.svg
  :target: https://doi.org/10.5281/zenodo.8116251

HTML

<a href="https://doi.org/10.5281/zenodo.8116251"><img src="https://zenodo.org/badge/DOI/10.5281/zenodo.8116251.svg" alt="DOI"></a>

Image URL

https://zenodo.org/badge/DOI/10.5281/zenodo.8116251.svg

Target URL

https://doi.org/10.5281/zenodo.8116251
Resource type
Dataset
Publisher
Zenodo

Rights

License
cc0-1.0 icon Creative Commons Zero v1.0 Universal
CC0 waives copyright interest in a work you've created and dedicates it to the world-wide public domain. Use CC0 to opt out of copyright entirely and ensure your work has the widest reach. Read more

Citation

Export

Technical metadata

Created
July 5, 2023
Modified
July 6, 2023

About

  • About
  • Policies
  • Infrastructure
  • Principles
  • Projects
  • Roadmap
  • Contact

Blog

  • Blog

Support

  • Help
  • FAQ

Developers

  • REST API
  • OAI-PMH

Contribute

  • GitHub
  • Donate

Funded by

Powered by CERN Data Centre & InvenioRDM

  • Status
  • Privacy policy
  • Cookie policy
  • Terms of Use

This site uses cookies. Find out more on how we use cookies