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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pefurazoate_CONF596_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02123100; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF597_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02110705; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF41_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49182017; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF721_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02756970; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF741_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02711040; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF825_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02609576; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF828_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02664329; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF803_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02590350; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF845_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02635862; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF889_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02629714; Eh |
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