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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | Compound5_1Li | montilla, marc | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | RB3LYP | DEF2SVP | -3866.97828165; Eh | |||
 | 15-Dec-2021 | TS(3Aexo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.7401465; Eh | |||
 | 9-Feb-2023 | Compound3_2Li | montilla, marc | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -3874.40213934; Eh | |||
 | 9-Feb-2023 | Compound3_1Li | montilla, marc | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -3866.99685704; Eh | |||
 | 15-Dec-2021 | TS(3Aendo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.738513; Eh | |||
 | 9-Feb-2023 | Compound6_1Li | montilla, marc | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -3395.51738378; Eh | |||
 | 15-Dec-2021 | TS(3Bendo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.7308121; Eh | |||
 | 15-Dec-2021 | TS(3Bexo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.733393; Eh | |||
 | 9-Feb-2023 | Compound6_2Li | montilla, marc | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -3402.95733330; Eh | |||
 | 9-Feb-2023 | Compound4_1Li | montilla, marc | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -3395.50925196; Eh |
Results 221-230 of 421 (Search time: 0.001 seconds).