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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_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49201433; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF301_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96673596; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF302_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96779473; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF319_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96890900; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF312_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96844416; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96621632; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF372_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96793197; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF38_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96610455; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF40_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96997099; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF47_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96580549; Eh |
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