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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_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01597436; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1037_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01621089; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1029_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01654415; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF108_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01625154; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01584240; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1554_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01557354; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1593_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01654130; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1688_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01687068; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF17_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01431016; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF172_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01380730; Eh |
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