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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): 2741 to 2760 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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_CONF54_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08352800; Eh | |||
 | 10-Feb-2022 | imazalil_CONF55_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08282702; Eh | |||
 | 10-Feb-2022 | imazalil_CONF56_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.07938003; 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_CONF58_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.07958919; 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_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_CONF66_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08484441; 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_CONF68_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08471672; Eh | |||
 | 10-Feb-2022 | imazalil_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08556186; Eh | |||
 | 10-Feb-2022 | imazalil_CONF70_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08267631; Eh | |||
 | 10-Feb-2022 | imazalil_CONF74_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08092157; Eh | |||
 | 10-Feb-2022 | imazalil_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08282975; Eh | |||
 | 10-Feb-2022 | imazalil_CONF80_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08491842; Eh | |||
 | 10-Feb-2022 | imazalil_CONF82_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08467763; Eh | |||
 | 10-Feb-2022 | imazalil_CONF85_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08429604; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2741 to 2760 of 4613
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