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

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
THF3-ns.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 THF_n=3_non-stacked
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/100/198099
Appears in Collections:pKa_of_dihydrogen_complexes - DOI: 10.19061/iochem-bd-6-95

Show full item record


Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/198099

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