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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): 3021 to 3040 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49226498; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF264_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49205331; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF268_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49107999; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF269_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49114169; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49157488; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF271_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49112994; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF272_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49245064; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF273_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49230426; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF274_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49249335; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF275_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49360908; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF276_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49349474; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF277_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49352045; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF278_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49301939; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF279_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49305737; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF28_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49129434; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF281_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49236770; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF282_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49239437; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF285_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49192962; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF288_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49237432; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF289_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49095359; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3021 to 3040 of 4613
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