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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | fenarimol_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1760.23690934; Eh | |||
 | 10-Feb-2022 | fenarimol_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1760.23663983; Eh | |||
 | 10-Feb-2022 | imazalil_CONF115_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08270777; Eh | |||
 | 10-Feb-2022 | imazalil_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08337634; Eh | |||
 | 10-Feb-2022 | imazalil_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08090095; Eh | |||
 | 10-Feb-2022 | imazalil_CONF40_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08094960; Eh | |||
 | 10-Feb-2022 | imazalil_CONF63_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08255400; Eh | |||
 | 10-Feb-2022 | imazalil_CONF65_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08203623; Eh | |||
 | 10-Feb-2022 | imazalil_CONF67_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08223304; Eh | |||
 | 10-Feb-2022 | imazalil_CONF66_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08484441; Eh |
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