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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jan-2024 | 2 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GEN | -363.8378393; Eh | |||
 | 9-Jan-2024 | ts-73prime | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GEN | -3401.03001678; Eh | |||
 | 9-Jan-2024 | ts-56 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GEN | -3401.1098913; Eh | |||
 | 9-Jan-2024 | ts-57 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | GEN | -3401.05035786; Eh | |||
 | 9-Jan-2024 | cat1p | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GEN | -1929.5432528; Eh | |||
 | 9-Jan-2024 | ts-45 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GEN | -3037.260587; Eh | |||
 | 9-Jan-2024 | 7 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GEN | -3401.07109887; Eh | |||
 | 9-Jan-2024 | 4 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GEN | -3037.2691728; Eh | |||
 | 9-Jan-2024 | 5 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GEN | -3037.2773261; Eh | |||
 | 9-Jan-2024 | ts-73prime | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GEN | -3401.0927314; Eh |
Results 1-10 of 61 (Search time: 0.0 seconds).