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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_CONF374_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99804215; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF40_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99677248; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF404_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99748378; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF69_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49362285; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF418_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99850324; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF438_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99599460; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF456_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99854538; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF457_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99625020; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF479_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99723757; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF480_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99954663; Eh |
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