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Collection's Items (Sorted by Submit Date in Descending order): 1421 to 1440 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | hexaconazole_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.71505326; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.71457122; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.71518167; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.71549358; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.71592194; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.71331961; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.71563109; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70710220; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70354679; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70633257; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF118_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70522093; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70519775; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF138_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70411755; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70507845; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70667265; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF21_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70550680; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF28_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70427121; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF29_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70441472; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70643781; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF34_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1703.70414739; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1421 to 1440 of 6872
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