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

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
W10O32_BP86_Acetonitrile_4TMA.runDownload
output.cmlDownload

Metadata:

Title: _W10O32__4-_BP86_Acetonitrile_TZP_TMA
Authors: Jacobs, Jake
Issue Date: 30-Oct-2023
Publisher: University of Glasgow
Description: [W10O32]_4- POM in Acetonitrile solvent with TMA counter-cations, calculated using the BP86 functional and TZP basis set.
URI: https://iochem-bd.bsc.es/browse/handle/100/312924
Appears in Collections:POM_geometry_optimisations - DOI: 10.19061/iochem-bd-6-298

Show full item record


Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/312924

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