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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF245_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49159447; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF244_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49159945; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF269_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49114169; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49157488; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF289_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49095359; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF299_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49095111; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF307_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49173181; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49312519; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF163_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51921920; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF162_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51921527; Eh |
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