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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | prochloraz_CONF758_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63955748; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF773_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64067136; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF793_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63820258; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF355_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66558651; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65130971; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF242_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65457122; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF773_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65663216; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF54_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86306186; Eh | |||
 | 10-Feb-2022 | imazalil_CONF35_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08173653; Eh | |||
 | 10-Feb-2022 | imazalil_CONF37_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08124634; Eh |
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