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

Code snippets

Actions:

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

Metadata:

Title: kasugamycin_CONF15_water
Authors: Pulgar Rubio, Antonio
Issue Date: 26-Jan-2023
Publisher: Barcelona Supercomputing Center
Description: ORCA wb97x-d3 def2-TZVPP single point calculation of kasugamycin CONF15 in water
URI: https://iochem-bd.bsc.es/browse/handle/100/271129
Appears in Collections:D_Fungicide - DOI: 10.19061/iochem-bd-6-207

Show full item record


Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/271129

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