1. Barcelona Supercomputing Center
  2. BSC host
  3. G2-G4_Fungicide

Code snippets

Actions:

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

Metadata:

Title: terbinafine_CONF176_octanol
Authors: Pulgar Rubio, Antonio
Issue Date: 14-Dec-2022
Publisher: Barcelona Supercomputing Center
Description: ORCA wb97x-d3 def2-TZVPP single point calculation of terbinafine CONF176 in octanol
URI: https://iochem-bd.bsc.es/browse/handle/100/252480
Appears in Collections:G2-G4_Fungicide - DOI: 10.19061/iochem-bd-6-196

Show full item record


Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/252480

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