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Collection's Items (Sorted by Submit Date in Descending order): 461 to 480 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF110_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68636780; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68635748; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68243777; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF114_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68667333; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68460959; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF117_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68669170; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF119_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68603472; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68429708; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68622461; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68607415; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF123_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68573672; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68232481; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF125_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68466700; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF127_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68744510; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68673687; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68424839; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF130_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68691385; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF132_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68671115; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68257977; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF135_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68655915; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 461 to 480 of 7773
