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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): 2941 to 2960 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF140_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49387252; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF141_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49410221; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF142_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49405917; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF143_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49408144; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF145_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49423742; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.48928497; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF150_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49422369; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF151_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49207123; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF152_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49190989; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF153_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49172458; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF154_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49172920; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF156_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49197396; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF157_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49235863; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF158_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49217732; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF159_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49196824; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF16_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49170774; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF160_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49208044; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF162_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49115079; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF163_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49115931; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF164_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49114441; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2941 to 2960 of 4613
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