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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_CONF47_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49185147; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF957_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99785376; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF949_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99604375; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF94_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99775522; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1029_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02547500; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1009_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02547208; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1192_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02694651; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF115_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02380854; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1688_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02583022; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1762_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02410084; Eh |
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