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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Dec-2023 | TS2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -414.8376267; Eh | |||
 | 12-Dec-2023 | TS1 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -427.0197216; Eh | |||
 | 12-Dec-2023 | I1 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -413.0857213; Eh | |||
 | 12-Dec-2023 | I2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -413.7969029; Eh | |||
 | 12-Dec-2023 | P | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -368.9709642; Eh | |||
 | 12-Dec-2023 | S | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -427.8132754; Eh | |||
 | 12-Dec-2023 | TS3_ | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | - | DUMMY | -3304.98803959; Eh | |||
 | 8-Jan-2024 | 3_Cl_H2O_P2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4012.0716583; Eh | |||
 | 8-Jan-2024 | 3_Cl_H2O_C_C_Prod | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4012.2167923; Eh | |||
 | 8-Jan-2024 | TS_3_Cl_H2O_C_C | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -4012.0297973; Eh |
Results 51-60 of 82 (Search time: 0.001 seconds).