1. Barcelona Supercomputing Center
  2. BSC host
  3. DFT computational Data for:

ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
EDA.csvDownload
nocv_out.txtDownload
test.inpDownload
output.cmlDownload
Referenced by:

Manuscript title: Synergy of Experimental and Computational Chemistry: Structure and Biological Activity of Zn(II) Hydrazone Complexes

Journal: J. Chem. Soc., Dalton Trans.

DOI: 10.1039/D4DT01353K

Metadata:

Title: /EDA ZnL-2Az
Authors: Zlatar, Matija
Keywords: Conceptual DFT
Hydrazones
Electronic structure
Bond energy
Zn complexes
Issue Date: 7-May-2024
Publisher: University of Belgrade - Institute of Chemistry, Technology and Metallurgy
Description: ZnL-2Az_BP86-D4/TZP
URI: https://iochem-bd.bsc.es/browse/handle/100/320754
Appears in Collections:DFT computational Data for: - DOI: 10.19061/iochem-bd-6-362

Show full item record
Share Facebook Twitter Email


Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/320754

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