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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_CONF173_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66455797; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66153624; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF791_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66556895; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF870_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66578083; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF23_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65092697; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF248_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65396696; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF744_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65674148; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF791_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65512804; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF57_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02374752; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF58_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02228412; Eh |
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