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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): 3341 to 3360 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF40_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52028565; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52004588; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF411_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52156335; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF42_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52048772; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF43_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51725886; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF44_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51922744; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF442_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52199053; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF45_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51991352; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF46_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52022541; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF47_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52018693; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF48_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52011468; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF49_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52009631; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51801310; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF50_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52032717; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF52_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52043837; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF53_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52014460; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF54_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52067667; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF55_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52062123; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF56_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52072889; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF57_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52047035; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3341 to 3360 of 4613
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