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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_CONF1114_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01742825; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1223_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01790013; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1192_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01777356; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF115_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01544168; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF151_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01794239; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1632_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01861010; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1624_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01627949; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1921_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01723169; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF192_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01583327; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2096_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01659862; Eh |
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