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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_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49176279; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF248_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49174556; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF185_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49222880; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85674777; Eh | |||
 | 10-Feb-2022 | imazalil_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10384550; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF515_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01387338; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF539_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01621834; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01563647; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF81_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96667119; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RR_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.23062546; Eh |
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- 7855 Orca