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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Nov-2020 | GD3Fe4OH_6_20 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.64683927; Eh | |||
 | 20-Nov-2020 | Fe4-SK-7_20 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -6924.61431573; Eh | |||
 | 20-Nov-2020 | GD3largeFe4H2O_7_20from5 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7001.53686371; Eh | |||
 | 20-Nov-2020 | Co4-SK-OH2-10_13 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7088.07035289; Eh | |||
 | 20-Nov-2020 | Fe-O-OH2-OH2_TS2-5_5 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -4040.95656769; Eh | |||
 | 20-Nov-2020 | GD3Fe4O_7_20 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.21030068; Eh | |||
 | 20-Nov-2020 | Fe4-SK-OO_-7_22 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7074.94686189; Eh | |||
 | 20-Nov-2020 | Fe4-SK-O_-8_19 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -6999.93878351; Eh | |||
 | 20-Nov-2020 | GD3H2O | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | 6-31G(D,P) GENECP | -76.4251353127; Eh | |||
 | 20-Nov-2020 | GD3FeOHFe2FeOH_8_21 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.41245890; Eh |
Results 21-30 of 86 (Search time: 0.0 seconds).