ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Benchmarking quantum chemistry methods for spin-state energetics of iron complexes against quantitative experimental data
Journal: PCCP
DOI: 10.1039/C9CP00105K
Metadata:
| Title: | /fe_acac2trien c2_6a_bp_d3_tzvp_opt |
| Authors: | Mariusz, Radon |
| Keywords: | spin-state energetics Spin crossover |
| Issue Date: | 1-Feb-2019 |
| Publisher: | Jagiellonian University, Faculty of Chemistry |
| Description: | Sextet (6A) optimized in gas phase |
| URI: | https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/35 |
| Appears in Collections: | benchmark2019 |
Please use this identifier to cite or link to this item:
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/35
Item files in Browse 
HTML5 resume (see conditions inside)