1. Barcelona Supercomputing Center
  2. BSC host
  3. Reducing_Systematic_Uncertainty_in_Computed_Redox_Potentials

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
Fe-III-GeW11O39-H2O-SP=5.runDownload
output.cmlDownload
Referenced by:

Manuscript title: Reducing Systematic Uncertainty in Computed Redox Potentials for Aqueous Transition-Metal-Substituted Polyoxotungstates

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.3c01115

Metadata:

Title: /Functional_Effect/Anionic_Model/M_=_Fe(III_II) GeW11Fe-III-(H2O)O39_5-
Authors: Thompson, Jake
Keywords: Density functional calculations
Redox chemistry
Issue Date: 21-Jun-2023
Publisher: University of Glasgow
Description: PBE/TZP
URI: https://iochem-bd.bsc.es/browse/handle/100/304637
Appears in Collections:Reducing_Systematic_Uncertainty_in_Computed_Redox_Potentials - DOI: 10.19061/iochem-bd-6-254

Show full item record


Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/304637

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License