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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): 3281 to 3300 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF314_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52298411; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF315_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52242162; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF316_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52291504; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF317_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52390352; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF318_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52389537; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF319_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52284950; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF32_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51941198; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF320_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52126104; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF322_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52211541; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF323_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52234521; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF325_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52096099; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF332_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52201419; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF333_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51914773; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF335_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51902190; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF339_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51930641; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF34_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52048874; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF340_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51902686; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF343_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52116313; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF346_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52112459; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF348_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52242259; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3281 to 3300 of 4613
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