Published June 4, 2021
| Version v1
Dataset
Open
MC--srDFT spin-spin coupling constants input files for Dalton
Authors/Creators
- 1. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M,Denmark
Description
Input files used to run CAS--srDFT calculations for spin-spin couplings constant calculations with the Dalton program.
Files
Files
(27.7 MB)
| Name | Size | |
|---|---|---|
|
md5:ec3f2cf7f44afb738d3ee9574731110b
|
27.7 MB | Download |