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Collection's Items (Sorted by Submit Date in Descending order): 1041 to 1060 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF129_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66907956; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66925532; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF130_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67312042; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF133_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66845565; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF134_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67319437; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67293113; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF136_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67308168; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF139_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67308218; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67104880; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF141_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67280837; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF143_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67309630; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF144_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67308877; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67093845; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF151_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67287468; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF154_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67289522; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF155_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67276644; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF156_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67276956; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF157_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67286717; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF158_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67002728; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66985288; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1041 to 1060 of 7773
