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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_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32842519; Eh | |||
 | 21-Dec-2021 | tetraconazole_CONF263_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.43151424; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF36_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.32023525; Eh | |||
 | 21-Dec-2021 | tebuconazole_CONF260_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.72898900; Eh | |||
 | 21-Dec-2021 | tetraconazole_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.44148844; Eh | |||
 | 21-Dec-2021 | tetraconazole_CONF87_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.44104099; Eh | |||
 | 21-Dec-2021 | triadimefon_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1318.11154727; Eh | |||
 | 21-Dec-2021 | triticonazole_Z_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1359.62556617; Eh | |||
 | 21-Dec-2021 | fenbuconazole_CONF35_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1413.54037700; Eh | |||
 | 21-Dec-2021 | fenbuconazole_CONF29_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1413.54265549; Eh |
Results 21-30 of 5179 (Search time: 0.002 seconds).