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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_CONF1223_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02678158; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1554_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02411736; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1593_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02558456; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02334252; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1819_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02710559; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF186_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02349024; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF264_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02503868; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF275_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02362380; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF351_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02111750; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF342_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02529673; Eh |
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