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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Nov-2020 | Fe4-SK-O_-7_20 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -6999.75496445; Eh | |||
 | 20-Nov-2020 | GD3FeOHFe2FeOH_8_21freq | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.41245890; Eh | |||
 | 20-Nov-2020 | GD3Fe4H2O_6_21freq | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7001.34847730; Eh | |||
 | 20-Nov-2020 | GD3Fe4O_7_20freq | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.21030068; Eh | |||
 | 20-Nov-2020 | GD3bjFe4OH_6_20 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | LANL2DZ 6-31G(D,P) | -7000.90322949; Eh | |||
 | 17-Feb-2025 | Fe4-SKprotonated-OH2_-5_21 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7001.32987018; Eh | |||
 | 17-Feb-2025 | Fe4-SKprotonated-OH_-6_21 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.87921735; Eh | |||
 | 17-Feb-2025 | Fe4-SK-O_-7_20 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -6999.75496445; Eh |
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