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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): 2921 to 2940 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF103_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49419404; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF104_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49418965; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF106_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49154387; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF107_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49154656; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF108_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49147509; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF109_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49431521; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49201407; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF112_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49434883; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF114_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49141096; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF115_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49138953; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF116_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49225022; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49016056; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF124_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.48966580; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF126_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49314325; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49029246; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF130_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.48967181; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF131_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49202967; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF135_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49409906; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF137_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49393426; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49034712; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2921 to 2940 of 4613
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