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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | triflumizole_E_CONF127_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96537945; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF128_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96480703; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF91_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97542101; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF118_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96695792; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF101_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96842782; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF129_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96841015; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF173_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65385533; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF177_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65373763; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF20_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65117120; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF319_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97948424; Eh |
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