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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): 3201 to 3220 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF196_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51937592; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF197_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52229255; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF198_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52119080; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF199_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51965609; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52135861; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52006621; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF200_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51993679; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF201_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52013891; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF202_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51928535; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF204_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52082612; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF205_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51998997; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF209_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52092240; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52055236; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF212_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52203360; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF213_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52187823; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF214_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52157278; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF215_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52196259; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF216_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52218031; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF218_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52080139; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF22_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51966490; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3201 to 3220 of 4613
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