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

ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
spiro_triplet_qucc_wb97x.comDownload
output.cmlDownload

Metadata:

Title: /TD_DFT/triplet SHD_triplet
Authors: Avivi, Yuval
Issue Date: 10-Sep-2024
Publisher: Barcelona Supercomputing Center
Description: optimization using ωB97X/6-311+G(d,p)
URI: https://iochem-bd.bsc.es/browse/handle/100/328277
Appears in Collections:Spiroheptadiyl_Rearrangements - DOI: 10.19061/iochem-bd-6-400

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/100/328277

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