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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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_CONF319_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97948424; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF214_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97908924; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF242_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97893265; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF379_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49232865; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49226498; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF185_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49222880; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85674777; Eh | |||
 | 10-Feb-2022 | imazalil_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10384550; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF81_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96667119; Eh |
Results 11-20 of 7855 (Search time: 0.003 seconds).