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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): 3301 to 3320 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF35_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52047028; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF350_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51979970; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF351_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52030941; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF352_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52082828; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF353_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51963844; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF354_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52075621; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF356_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51980552; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF358_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52097494; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF36_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52029096; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF360_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52098644; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF362_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52104677; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF364_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52099619; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF366_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52108661; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF367_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52121038; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF368_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52123826; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF369_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52111724; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF37_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52096996; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF371_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52122784; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF376_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52155402; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF377_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52175549; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3301 to 3320 of 4613
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