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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF315_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52242162; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF317_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52390352; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF320_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52126104; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF332_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52201419; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF325_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52096099; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF340_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51902686; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF346_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52112459; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF348_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52242259; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF350_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51979970; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF351_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52030941; Eh |
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