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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_CONF744_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64043593; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF792_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63817774; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF888_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63847029; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF179_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66481612; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF374_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66729612; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF124_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65098553; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF348_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65428827; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF792_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65497220; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF589_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02555036; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF612_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02551767; Eh |
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