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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Nov-2020 | bs1Fe-OH_-5_6 | Besora, Maria | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Structure | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -3888.39010681; Eh | |||
 | 20-Nov-2020 | bs1Fe-O_-5_5 | Besora, Maria | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Structure | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -3887.71527097; Eh | |||
 | 20-Nov-2020 | bs1Fe-OH2_-4_6 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -3888.83701969; Eh |
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