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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08122873; Eh | |||
 | 10-Feb-2022 | imazalil_CONF29_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08132376; Eh | |||
 | 10-Feb-2022 | imazalil_CONF53_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08373762; Eh | |||
 | 10-Feb-2022 | imazalil_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08409006; Eh | |||
 | 10-Feb-2022 | imazalil_CONF52_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08082985; Eh | |||
 | 10-Feb-2022 | imazalil_CONF57_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08226026; Eh | |||
 | 10-Feb-2022 | imazalil_CONF59_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08276422; Eh | |||
 | 10-Feb-2022 | imazalil_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08187173; Eh | |||
 | 10-Feb-2022 | imazalil_CONF106_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10511511; Eh | |||
 | 10-Feb-2022 | imazalil_CONF105_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10336105; Eh |
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