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Collection's Items (Sorted by Submit Date in Descending order): 2241 to 2260 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | mefentrifluconazole_CONF101_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54772389; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54658090; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF105_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54669956; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54660919; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54685582; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54664748; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54705520; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF125_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54492406; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF127_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54480485; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54478085; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54680166; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF142_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54489100; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54525165; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF151_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54535306; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54483951; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF200_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54476172; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF211_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54252110; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF212_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54271905; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54537390; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54532811; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2241 to 2260 of 6872
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