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Collection's Items (Sorted by Submit Date in Descending order): 2281 to 2300 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | mefentrifluconazole_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53285108; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53536442; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF104_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53637876; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF105_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53672465; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF106_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53662069; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF107_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53678874; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53698300; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF111_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53541577; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF117_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53702935; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF118_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53703850; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF125_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53512069; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF127_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53493019; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF131_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53466658; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF141_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53519158; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF149_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53537207; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF150_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53543663; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF193_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53340645; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF194_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53432513; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF195_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53323766; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF200_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53570661; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2281 to 2300 of 6872
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