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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78559850; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17341140; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17361697; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF19_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17229202; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17663386; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17387917; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF67_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17310432; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17349575; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF36_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77432522; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77451451; Eh |
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- 5179 Orca