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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_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.30268823; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF54_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.29908176; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.30505807; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32672245; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32548365; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32869494; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.31919204; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.31931495; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF20_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.31947927; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.30367941; Eh |
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- 7855 Orca