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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_CONF115_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49138953; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF145_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96791991; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF144_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96588773; 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_CONF66_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97595882; 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_CONF320_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97943321; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF204_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97975672; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF189_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97740635; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF192_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97634671; Eh |
Results 21-30 of 7855 (Search time: 0.005 seconds).