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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_CONF296_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51159395; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF224_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96720793; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF227_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96453082; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF30_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88291847; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF36_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88384545; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF184_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49303838; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF191_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49225566; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF192_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49299417; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF193_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49116070; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF201_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49096057; Eh |
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