1. Barcelona Supercomputing Center
  2. BSC host
  3. 1,8-Cineole_Investigation

ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
1CineoleR_R_NBO.gjfDownload
output.cmlDownload

Metadata:

Title: /Calculations NBO7_1CineoleR_R
Authors: Potluri, Abhay
Issue Date: 5-Feb-2026
Publisher: Barcelona Supercomputing Center
Abstract: NBO calculations of 1CineoleR at mPW1PW91/6-311G(d,p) level of theory
URI: https://iochem-bd.bsc.es/browse/handle/100/485713
Appears in Collections:1,8-Cineole_Investigation - DOI: 10.19061/iochem-bd-6-611

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/100/485713

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