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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | difenoconazole_RS_CONF56_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69800290; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF57_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69731298; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF17_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77511047; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77545788; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF62_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69811303; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69972543; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69719138; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF67_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69926603; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF69_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69604572; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF68_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69928982; Eh |
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