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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_CONF151_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02651350; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1619_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02559975; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1610_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02537988; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF197_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02232427; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1985_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02288350; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2355_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02738604; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2386_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02467906; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF237_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02447277; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF353_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02359926; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF51_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02316616; Eh |
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