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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_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 | |||
 | 21-Dec-2021 | triadimenol_RS_CONF32_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.30321581; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.30512539; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32585950; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32023226; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32012852; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.31866543; Eh |
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- 5179 Orca