Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
WD_PO4_PBE_NewOPT_TZ2P.runDownload
output.cmlDownload
Referenced by:

Manuscript title: Computational Study into the Effects of Countercations on the [P8W48O184]40– Polyoxometalate Wheel

DOI: 10.1021/acsorginorgau.3c00014

Metadata:

Title: WD-PO4-PBE-TZ2P-OPT
Authors: Malcolm, Daniel
Keywords: Hexalacunary
Tungsten Complexes
Wells-Dawson
Tungsten-48 Wheel
Polyoxometalates
Issue Date: 26-Sep-2023
Publisher: University of Glasgow
Description: Classical Wells-Dawson with PBE Functional and TZ2P Functional
URI: https://iochem-bd.bsc.es/browse/handle/100/311804
Appears in Collections:POMzites - DOI: 10.19061/iochem-bd-6-256



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/311804

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