GENERAL INFO
| Title: | /Atoms Fe0 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/47644 |
| Program: | ADF |
| Author: | Swart, Marcel |
| Formula: | Fe 1 |
| Calculation type: | Single point (Phase gas) |
| Method(s): | DFT ( S12g-x PBEc ) | PW92 == Not Default == |
| Core Treatment : | Frozen Orbital(s) |
| Symmetry : | C(2V) |
MOLECULAR INFO
| Charge: | 0 |
| Multiplicity: | 1 |
| Spin polarization: | 0 |
