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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): 3481 to 3500 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51017418; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF352_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51048627; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF354_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51046542; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF358_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51061712; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF360_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51057761; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF362_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51058292; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF364_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51060553; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF366_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51074564; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF376_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51110682; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF377_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51110613; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF378_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51089850; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF379_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51072461; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF380_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51078652; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF381_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51109040; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF382_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51094056; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF383_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51111916; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF384_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51141057; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF385_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51076249; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF386_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51070451; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF387_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51091218; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3481 to 3500 of 4613
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