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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): 2961 to 2980 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF165_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49127244; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF166_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49127303; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF167_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49127573; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF168_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49127180; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF169_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49216949; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49178450; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF171_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49249213; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF172_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49242323; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF175_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49220547; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF177_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49308071; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF178_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49287614; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF179_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49254962; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49171890; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF180_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49288286; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF181_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49305803; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF182_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49287713; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF183_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49285332; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF184_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49303838; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF185_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49222880; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF187_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49283508; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2961 to 2980 of 4613
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