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) |
Charge: | 0 |
Multiplicity: | 1 |
Spin polarization: | 0 |