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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF61_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49159090; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF815_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99734124; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF86_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99840223; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF49_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01561673; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF589_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01692718; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF63_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01471107; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF741_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01757339; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF73_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01430400; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF736_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01602236; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF828_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01788921; Eh |
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