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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_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01832975; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF103_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03263113; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF104_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03564131; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF200_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03310900; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF201_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03452970; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03350970; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF293_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03278849; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF292_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03240769; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF296_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03458973; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF297_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03445392; Eh |
Results 9811-9820 of 14834 (Search time: 0.007 seconds).