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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): 3141 to 3160 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51891347; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF112_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52350630; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF114_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51917200; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF115_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51923568; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF116_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52121406; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51894174; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF126_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52271450; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51905935; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF131_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52176608; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF135_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52340459; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF137_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52311276; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51910648; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF140_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52287263; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF141_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52285493; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF142_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52330513; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF143_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52342167; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF145_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52361678; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51856408; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF150_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52356591; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF151_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52037431; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3141 to 3160 of 4613
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