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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pefurazoate_CONF673_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01874360; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF68_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01524905; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF803_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01784599; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF960_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01300552; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF94_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01384451; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF173_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63906824; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF171_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63901667; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF169_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63889072; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF56_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49160205; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF236_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64004985; Eh |
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