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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_CONF278_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49301939; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF28_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49129434; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF35_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49165694; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF343_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49231077; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF182_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52195898; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF183_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52157822; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF193_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51960731; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF194_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52198087; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF192_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52202586; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF213_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52187823; Eh |
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