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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): 3241 to 3260 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52030843; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF262_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52285247; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF263_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52306014; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF264_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52254055; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF268_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51971780; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF269_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51970686; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF270_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51937713; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF271_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51951296; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF272_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52266459; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF273_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52243677; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF274_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52275325; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF275_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52380460; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF276_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52360995; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF277_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52365515; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF278_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52359492; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF279_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52363550; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF281_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52012237; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF282_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52016728; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF285_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52275011; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF286_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52232071; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3241 to 3260 of 4613
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