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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_H2O | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4162.4128095; Eh | |||
 | 8-Jan-2024 | 3_CH3CN | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -3457.5952856; Eh | |||
 | 8-Jan-2024 | 3_P1 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4236.3146584; Eh | |||
 | 8-Jan-2024 | 3_O2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4236.3287045; Eh | |||
 | 8-Jan-2024 | 3 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4085.934271; Eh | |||
 | 16-Sep-2024 | TS2_freq | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2SVP | -1106.05007174; Eh | |||
 | 16-Sep-2024 | TS1_freq | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2SVP | -1106.04209673; Eh | |||
 | 16-Sep-2024 | CO | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -113.3638652; Eh | |||
 | 16-Sep-2024 | Depside-_CO | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -1107.4520699; Eh | |||
 | 16-Sep-2024 | TS2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -1107.2853874; Eh |
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