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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): 3361 to 3380 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF58_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52063793; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF59_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52065549; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51807991; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF60_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51890185; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52065150; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF63_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52031650; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF64_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52046910; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52049752; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF66_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52043326; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF67_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52041928; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF68_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52044314; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF69_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52211898; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51903801; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF70_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52194219; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF71_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52198901; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF72_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52199446; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF73_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52200868; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF74_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52201921; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF75_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52195508; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF76_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52168465; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3361 to 3380 of 4613
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