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Collection's Items (Sorted by Submit Date in Descending order): 2401 to 2420 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | metconazole_trans_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84939589; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85208948; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84030899; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84055186; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF113_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.83848078; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84237286; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84148603; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.83968827; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84029015; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84363562; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF21_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84089095; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF27_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84060176; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF28_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.83995796; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF29_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.83917418; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.83942956; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.83709281; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF41_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.83963023; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84105592; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF78_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.83998960; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84214995; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2401 to 2420 of 6872
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