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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_CONF63_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02242930; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02367319; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF642_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02534348; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF756_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02424416; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF838_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02856356; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF886_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02477791; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF879_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02580435; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF929_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02367983; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF960_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02182903; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1003_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01543535; Eh |
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