MC--srDFT spin-spin coupling constants input files for Dalton
| Main Author: | Erik Kjellgren |
|---|---|
| Format: | info dataset Journal |
| Bahasa: | eng |
| Terbitan: |
, 2021
|
| Online Access: |
https://zenodo.org/record/4899982 |
Daftar Isi:
- Input files used to run CAS--srDFT calculations for spin-spin couplings constant calculations with the Dalton program.