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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | propiconazole_RS_CONF79_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04108764; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF77_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04309902; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.47690773; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.47692245; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.47688247; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.47720912; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.49876985; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.47565318; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.47579168; Eh | |||
 | 21-Dec-2021 | simeconazole_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1174.47686738; Eh |
Results 9831-9840 of 14834 (Search time: 0.008 seconds).