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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_CONF67_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49204012; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF68_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49205251; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF417_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99989298; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF424_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99845027; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF426_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99922297; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF449_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99720046; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF473_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99970817; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF458_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99546026; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF493_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99525511; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF491_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99978391; Eh |
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