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

ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
OH_doublet.gjfDownload
output.cmlDownload

Metadata:

Title: /Scaling_factors OH_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation
Authors: Nicolaou, Michael
Issue Date: 14-Sep-2023
Publisher: Barcelona Supercomputing Center
Description: Geometry optimisation and vibrational frequency calculation of OH using M06-2X/def2-TZVP, no solvation.
URI: https://iochem-bd.bsc.es/browse/handle/100/308211
Appears in Collections:Vanillin_benchmark - DOI: 10.19061/iochem-bd-6-283

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/100/308211

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