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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_CONF38_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49215498; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168650; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168467; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49176279; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF539_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01621834; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01563647; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67857193; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF152_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96590625; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF130_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96843292; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF124_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96867614; Eh |
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