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Collection's Items (Sorted by Submit Date in Descending order): 481 to 500 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68632897; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF137_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68660178; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68366079; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF140_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68755298; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF141_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68667214; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF142_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68689488; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF143_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68656000; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68651167; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF145_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68669185; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF147_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68328747; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68651315; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF151_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68372445; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF152_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68355230; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF153_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68342083; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF157_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68334691; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68341612; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68636388; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF165_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68303212; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF166_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68340523; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF169_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68356920; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 481 to 500 of 7773
