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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Nov-2023 | /Co3W-WK F_Co3W-O | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -7286.15535631; Eh | |||
 | 6-Nov-2023 | /Co3W-WK AtoB_Co3W(H)-OH2 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -7288.15683637; Eh | |||
 | 6-Nov-2023 | /Co3W-WK B_Co3W(HH)-OH2 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -7288.80277618; Eh | |||
 | 6-Nov-2023 | /Co2Fe2-WK K_Co2Fe2-OH | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -7320.97065774; Eh | |||
 | 6-Nov-2023 | /Co3W-WK A_Co3W-OH2 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -7287.85156383; Eh | |||
 | 6-Nov-2023 | /Co3W-WK E_Co3W-OH | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) 6-31G GENECP | -7286.81906617; Eh | |||
 | 17-Feb-2025 | Fe4-SK-OH_-6_20 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.19016215; Eh | |||
 | 17-Feb-2025 | Fe4-SK-OH2_-6_21 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.88531594; Eh | |||
 | 17-Feb-2025 | Fe4-SK-OH2_-5_22 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.64039006; Eh | |||
 | 17-Feb-2025 | 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 |
Results 81-90 of 153 (Search time: 0.001 seconds).