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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_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99761085; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF561_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99800828; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF589_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99825574; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF595_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.00114147; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF653_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99595607; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF65_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99783986; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF721_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.00053970; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF756_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99718425; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF75_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99735993; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF785_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99488315; Eh |
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