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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | triadimenol_RS_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.30575857; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32602118; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32904331; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF29_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32957636; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF28_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32108197; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF22_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.31894267; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF34_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.31976268; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF27_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32124173; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF26_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32119354; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF47_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.31983285; Eh |
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- 7855 Orca