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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): 2881 to 2900 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF56_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09354647; Eh | |||
 | 10-Feb-2022 | imazalil_CONF58_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09443807; Eh | |||
 | 10-Feb-2022 | imazalil_CONF59_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09586392; Eh | |||
 | 10-Feb-2022 | imazalil_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09683085; Eh | |||
 | 10-Feb-2022 | imazalil_CONF63_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09516858; Eh | |||
 | 10-Feb-2022 | imazalil_CONF66_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09825868; Eh | |||
 | 10-Feb-2022 | imazalil_CONF67_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09573874; Eh | |||
 | 10-Feb-2022 | imazalil_CONF68_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09789636; Eh | |||
 | 10-Feb-2022 | imazalil_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09826288; Eh | |||
 | 10-Feb-2022 | imazalil_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09667183; Eh | |||
 | 10-Feb-2022 | imazalil_CONF74_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09566403; Eh | |||
 | 10-Feb-2022 | imazalil_CONF76_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09337088; Eh | |||
 | 10-Feb-2022 | imazalil_CONF77_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09544984; Eh | |||
 | 10-Feb-2022 | imazalil_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09661933; Eh | |||
 | 10-Feb-2022 | imazalil_CONF80_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09754690; Eh | |||
 | 10-Feb-2022 | imazalil_CONF82_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09792059; Eh | |||
 | 10-Feb-2022 | imazalil_CONF85_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09772512; Eh | |||
 | 10-Feb-2022 | imazalil_CONF86_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09833562; Eh | |||
 | 10-Feb-2022 | imazalil_CONF88_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09566090; Eh | |||
 | 10-Feb-2022 | imazalil_CONF89_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09831553; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2881 to 2900 of 4613
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