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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): 3101 to 3120 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF61_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49159090; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF63_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49160302; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF64_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49169374; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF65_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49195314; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF66_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49156228; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF67_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49204012; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF68_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49205251; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF69_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49362285; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49197436; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF70_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49348771; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF71_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49348838; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF72_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49349126; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF73_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49348881; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF74_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49348999; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF75_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49345748; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF76_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49341263; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF77_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49240586; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF78_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49251762; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF79_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49086997; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49201433; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3101 to 3120 of 4613
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