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Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropidin_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54294635; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54295566; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54205575; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54720035; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54714237; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54734402; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54696716; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54663423; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54648672; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54562541; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54262171; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52710988; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52746809; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52805555; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52616880; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52657343; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53085312; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52687432; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53365402; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53337582; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 6872
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