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  
Hole-1,5-K4WRu-III-H2O.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: /Explicit_Counterions Hole-A,D-K4_PW11Ru(H2O)O39
Authors: Thompson, Jake
Keywords: Redox Potential
Redox chemistry
Density functional calculations
Polyoxometalates
Issue Date: 21-Jun-2023
Publisher: University of Glasgow
Description: PBE/TZP
URI: https://iochem-bd.bsc.es/browse/handle/100/304592
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/100/304592

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