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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): 3061 to 3080 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF377_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49241432; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF378_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49235117; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF379_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49232865; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF38_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49215498; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF380_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49240494; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF381_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49223340; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF382_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49218442; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF383_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49223255; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF384_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49228984; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF385_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49213651; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF386_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49228475; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF387_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49212334; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF388_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49226329; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF39_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49035042; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF390_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49228074; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49047203; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF40_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49201603; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF41_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49182017; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF412_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49205431; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF42_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49192862; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3061 to 3080 of 4613
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