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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): 2761 to 2780 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF86_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08465716; Eh | |||
 | 10-Feb-2022 | imazalil_CONF89_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08466585; Eh | |||
 | 10-Feb-2022 | imazalil_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08315155; Eh | |||
 | 10-Feb-2022 | imazalil_CONF90_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08407132; Eh | |||
 | 10-Feb-2022 | imazalil_CONF91_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08108415; Eh | |||
 | 10-Feb-2022 | imazalil_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10384550; Eh | |||
 | 10-Feb-2022 | imazalil_CONF105_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10336105; 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_CONF107_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10342810; Eh | |||
 | 10-Feb-2022 | imazalil_CONF109_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10342353; Eh | |||
 | 10-Feb-2022 | imazalil_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10457841; Eh | |||
 | 10-Feb-2022 | imazalil_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10454538; Eh | |||
 | 10-Feb-2022 | imazalil_CONF131_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10468675; Eh | |||
 | 10-Feb-2022 | imazalil_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10755153; Eh | |||
 | 10-Feb-2022 | imazalil_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10670214; Eh | |||
 | 10-Feb-2022 | imazalil_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10734793; Eh | |||
 | 10-Feb-2022 | imazalil_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10678552; Eh | |||
 | 10-Feb-2022 | imazalil_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10695287; Eh | |||
 | 10-Feb-2022 | imazalil_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10626830; Eh | |||
 | 10-Feb-2022 | imazalil_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10410098; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2761 to 2780 of 4613
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