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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_Z_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84494872; Eh | |||
 | 10-Feb-2022 | imazalil_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09504838; Eh | |||
 | 10-Feb-2022 | imazalil_CONF39_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09486206; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF87_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52115529; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88300858; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF182_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49287713; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF183_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49285332; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF187_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49283508; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF188_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49231651; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF189_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49214125; Eh |
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