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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | penconazole_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14372816; Eh | |||
 | 21-Dec-2021 | penconazole_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14257912; Eh | |||
 | 21-Dec-2021 | penconazole_CONF28_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14081356; Eh | |||
 | 21-Dec-2021 | penconazole_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14049789; Eh | |||
 | 21-Dec-2021 | penconazole_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14087958; Eh | |||
 | 21-Dec-2021 | penconazole_CONF37_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14353269; Eh | |||
 | 21-Dec-2021 | penconazole_CONF40_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.13920732; Eh | |||
 | 21-Dec-2021 | penconazole_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14309386; Eh | |||
 | 21-Dec-2021 | penconazole_CONF41_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14264224; Eh | |||
 | 21-Dec-2021 | penconazole_CONF43_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.14284697; Eh |
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- 7855 Orca