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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_CONF143_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96588401; 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 | |||
 | 22-Dec-2021 | etaconazole_RR_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.70190917; Eh | |||
 | 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 |
Results 31-40 of 7855 (Search time: 0.002 seconds).
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- 7855 Orca