ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Metadata:
| Title: | Frequency_calculation_for_optimized_Li4EPc |
| Authors: | Poddar, Arpita |
| Issue Date: | 23-Sep-2021 |
| Publisher: | Indian Institute of Technology Kharagpur |
| Description: | Due to HPC maintenance issue, the opt+freq job for Li4EPc was not completed although geometry optimization for Li4EPc was completed properly. So i have attached frequency calculation file for Li4EPc separately. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/199259 |
| Appears in Collections: | Metallo-Organic_Electride_Li4EPc - DOI: 10.19061/iochem-bd-6-107 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/199259
Item files in Browse 
HTML5 resume (see conditions inside)