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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jan-2024 | 3_CH3CN | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -3457.5952856; Eh | |||
 | 8-Jan-2024 | 3 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4085.934271; Eh | |||
 | 8-Jan-2024 | TS_3_Cl_H2O_P | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4012.0519593; Eh | |||
 | 8-Jan-2024 | TS_3_Cl_O2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -3935.5218596; Eh | |||
 | 8-Jan-2024 | 3_Cl_O2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -3935.5783465; Eh |
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- 25 UB3LYP