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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): 3441 to 3460 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF23_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50930600; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF24_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50923258; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF25_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51024392; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF252_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51262774; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF253_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51179646; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF255_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51180431; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF256_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51287601; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF257_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51176137; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF26_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50924145; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF262_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51174171; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF263_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51188791; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF264_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51174279; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF272_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51205386; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF273_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51159635; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF274_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51200883; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF275_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51286034; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF276_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51266386; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF277_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51270721; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF278_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51251620; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF279_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51254429; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3441 to 3460 of 4613
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