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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Nov-2020 | Co-OH2_-4_1 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -3910.83437402; Eh | |||
 | 20-Nov-2020 | Co-OH_-5_1 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -3910.37073060; Eh | |||
 | 28-Jan-2023 | H2O | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D,P) | -76.4197374080; Eh | |||
 | 28-Jan-2023 | H2 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D,P) | -1.17853930089; Eh | |||
 | 13-May-2025 | ipTS3-5ON_singlet | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D) GENECP | -2394.63703485; Eh | |||
| 13-May-2025 | eInt5N_singlet | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D) GENECP | -2355.44164914; Eh | |||
| 13-May-2025 | N3Troc | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D) GENECP | -475.037954112; Eh | |||
| 13-May-2025 | eInt5O_singlet | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D) GENECP | -2355.44245309; Eh | |||
| 13-May-2025 | Int2O_singlet | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D) GENECP | -2385.01050323; Eh | |||
| 13-May-2025 | Int2N_singlet | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D) GENECP | -2385.01380909; Eh |
Results 1-10 of 45 (Search time: 0.001 seconds).