rsos171563_si_002.zip (21.59 MB)

All Q-Chem output files and optimised geometries from Correction to ‘A DFT investigation of the blue bottle experiment: E^°_halfcell analysis of autoxidation catalysed by redox indicators’

Name: All Q-Chem output files and optimised geometries from Correction to ‘A DFT investigation of the blue bottle experiment: E°halfcell analysis of autoxidation catalysed by redox indicators’
Published: 2017-10-24T13:34:29+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: physical chemistry

dataset

posted on 2017-10-24, 13:34 authored by Taweetham Limpanuparb, Pakpong Roongruangsree, Cherprang Areekul

Raw output files and geometries

History

Usage metrics

Keywords

physical chemistry

Licence

CC BY

Exports

RefWorks

BibTeX

Ref. manager

Endnote

DataCite

NLM

All Q-Chem output files and optimised geometries from Correction to ‘A DFT investigation of the blue bottle experiment: E°halfcell analysis of autoxidation catalysed by redox indicators’