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DOI: 10.19061/iochem-bd-6-123
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Collection's Items (Sorted by Submit Date in Descending order): 2821 to 2840 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10580282; Eh | |||
 | 10-Feb-2022 | imazalil_CONF80_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10812345; Eh | |||
 | 10-Feb-2022 | imazalil_CONF82_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10809132; Eh | |||
 | 10-Feb-2022 | imazalil_CONF85_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10783374; Eh | |||
 | 10-Feb-2022 | imazalil_CONF86_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10806470; Eh | |||
 | 10-Feb-2022 | imazalil_CONF88_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10502185; Eh | |||
 | 10-Feb-2022 | imazalil_CONF89_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10772646; Eh | |||
 | 10-Feb-2022 | imazalil_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10620813; Eh | |||
 | 10-Feb-2022 | imazalil_CONF90_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10789117; Eh | |||
 | 10-Feb-2022 | imazalil_CONF91_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10520283; Eh | |||
 | 10-Feb-2022 | imazalil_CONF92_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10378660; Eh | |||
 | 10-Feb-2022 | imazalil_CONF94_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10391961; Eh | |||
 | 10-Feb-2022 | imazalil_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09557552; Eh | |||
 | 10-Feb-2022 | imazalil_CONF105_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09421652; Eh | |||
 | 10-Feb-2022 | imazalil_CONF106_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09584403; Eh | |||
 | 10-Feb-2022 | imazalil_CONF107_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09465962; Eh | |||
 | 10-Feb-2022 | imazalil_CONF109_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09405331; Eh | |||
 | 10-Feb-2022 | imazalil_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09592092; Eh | |||
 | 10-Feb-2022 | imazalil_CONF115_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09551549; Eh | |||
 | 10-Feb-2022 | imazalil_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09583990; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2821 to 2840 of 4613
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