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

ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
Benzyl_Alcohol.xyzDownload
Benzyl_Alcohol.gbwDownload
Benzyl_Alcohol.optDownload
Benzyl_Alcohol_property.txtDownload
Benzyl_Alcohol.inpDownload
output.cmlDownload

Metadata:

Title: /Alcohols Benzyl_Alcohol_DFT
Authors: Ieritano, Christian
Issue Date: 5-May-2021
Publisher: Barcelona Supercomputing Center
Description: DFT optimization and frequency calculation of benzyl alcohol at the wB97X-D3/def2-TZVPP level of theory
URI: https://iochem-bd.bsc.es/browse/handle/100/197850
Appears in Collections:Benzylpyridinium_Thermometer_Ion_Fragmentation - DOI: 10.19061/iochem-bd-6-88

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/100/197850

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