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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_CONF48_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03268312; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03357104; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03293263; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03367884; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF104_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04479126; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF105_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04181367; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF103_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04200333; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF78_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04243657; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF74_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04296215; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF75_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04554737; Eh |
Results 9821-9830 of 14834 (Search time: 0.008 seconds).