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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): 3461 to 3480 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF285_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51183597; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF286_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51179671; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF287_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51169276; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF29_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51019518; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF290_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51245696; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF292_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51126894; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF296_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51159395; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51206206; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF307_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51142917; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF314_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51171709; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF315_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51153683; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF316_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51168246; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF317_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51285396; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF318_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51289887; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF319_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51210107; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF320_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51123858; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF323_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51135677; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF332_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51120363; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF34_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51025306; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF343_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51125033; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3461 to 3480 of 4613
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