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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_CONF529_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99840192; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF533_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99814915; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF577_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99707483; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF581_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99890276; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF58_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99680323; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF608_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99816219; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF605_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99816144; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF630_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99921824; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF63_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99680081; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF673_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.00149111; Eh |
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