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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_CONF49_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49179648; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF96_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99759172; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1003_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02462251; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02362423; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1119_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02424205; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1149_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02511803; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF132_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02343206; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1244_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02686747; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1632_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02825749; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1643_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02496768; Eh |
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