Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
b3lyp-Ru-9-OOH-LS-freq.comDownload
output.cmlDownload
Referenced by:

Manuscript title: Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential

Journal: Nat. Commun.

DOI: 10.1038/s41467-019-12994-w

Metadata:

Title: b3lyp-Ru-9-OOH-freq
Authors: Craig, Michael
Issue Date: 3-May-2019
Publisher: Trinity College Dublin
Description: Frequency calculation for OOH intermediate using the b3lyp functional
URI: https://iochem-bd.bsc.es/browse/handle/100/193499
Appears in Collections:Universal Scaling Relationships for the Rational Design of Molecular Water Oxidation Catalysts with Near-Zero Overpotential - DOI: 10.19061/iochem-bd-6-15



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/193499

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