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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): 3501 to 3520 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF388_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51139857; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF390_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51124473; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF391_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51029041; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF396_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51014627; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF397_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51127327; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF399_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51037356; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50923069; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF412_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51103126; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF42_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51002788; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50932247; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF47_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50931505; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50872282; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF50_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50956452; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50971688; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF53_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50922554; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51034895; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF55_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51033485; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF56_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51038306; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF57_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51039691; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF58_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51031355; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3501 to 3520 of 4613
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