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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): 3081 to 3100 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF43_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49026322; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49163682; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF45_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49178783; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF46_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49185221; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF47_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49185147; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF48_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49178221; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF49_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49179648; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49039711; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49196221; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF51_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49142522; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF52_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49203563; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF53_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49211345; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF54_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49161973; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF55_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49162423; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF56_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49160205; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF57_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49159855; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF58_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49162763; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF59_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49162491; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49056055; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF60_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49163363; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3081 to 3100 of 4613
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