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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_CONF762_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02538013; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF768_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02429011; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF780_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02388508; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF86_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02330982; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF920_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02564252; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF926_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02459357; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF915_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02477366; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1058_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01748998; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1119_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01529601; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1149_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01684391; Eh |
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