Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
wat1h.comDownload
output.cmlDownload
Referenced by:

Manuscript title: How acid can become a dihydrogen complex in water? A DFT study

Journal: J. Organomet. Chem.

DOI: 10.1016/j.jorganchem.2021.121957

Metadata:

Title: /solvent H3O+_n=1
Authors: Ortuño Maqueda, Manuel Angel
Issue Date: 30-Jun-2021
Publisher: Barcelona Supercomputing Center
Description: Optimization and frequencies in gas phase
URI: https://iochem-bd.bsc.es/browse/handle/100/198115
Appears in Collections:pKa_of_dihydrogen_complexes - DOI: 10.19061/iochem-bd-6-95



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/198115

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