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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_CONF478_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99737015; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF474_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99730189; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF496_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99676707; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99800200; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF54_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99788732; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF55_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99794874; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF587_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99829583; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF612_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99728255; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF616_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99807786; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF61_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99807743; Eh |
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