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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Nov-2024 | minimum2_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -534.144604627; Eh | |||
 | 29-Nov-2024 | minimum1_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -457.707120077; Eh | |||
 | 29-Nov-2024 | minimum2_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -457.707136126; Eh | |||
 | 29-Nov-2024 | TS_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | RB3LYP | 6-31G(D) | -457.706584129; Eh | |||
 | 29-Nov-2024 | minimum1_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -534.144797125; Eh | |||
 | 29-Nov-2024 | minimum2_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -534.144811655; Eh | |||
 | 29-Nov-2024 | TS_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | RB3LYP | 6-31G(D) | -534.141497205; Eh | |||
 | 29-Nov-2024 | minimum1_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -534.144401511; Eh | |||
 | 29-Nov-2024 | TS_opt | Serapian, Stefano A. | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | RB3LYP | 6-31G(D) | -534.142426844; Eh |
Results 1-9 of 9 (Search time: 0.0 seconds).