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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): 3261 to 3280 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF287_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52247664; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF288_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52017801; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF289_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51958735; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF29_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52031518; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF290_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52355992; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF292_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52204807; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF293_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51957271; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF294_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51964508; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF296_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52248581; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF297_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51957349; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF298_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51914893; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF299_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51946953; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52118756; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF30_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51935856; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF301_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51934233; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF302_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51918978; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF305_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51928570; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF307_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52226540; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF309_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51927976; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF313_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52266036; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3261 to 3280 of 4613
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