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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_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49047203; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF361_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01457226; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF381_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01428583; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF408_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01621391; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF643_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63822398; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF681_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63978744; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF698_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63997400; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF753_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63987898; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF791_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63820869; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF796_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63820688; Eh |
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