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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_CONF210_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99722572; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF226_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99698507; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF223_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99701041; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF235_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99770352; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF234_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99671595; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF28_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99476618; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF299_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99678500; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF293_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99645284; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99607245; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF310_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99788962; Eh |
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