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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_CONF67_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99728151; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF68_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99765490; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF736_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99660624; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF73_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99639167; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF780_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99732322; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF63_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49160302; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF799_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99634242; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF812_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99874172; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF81_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99747449; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF890_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99752293; Eh |
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