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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): 3161 to 3180 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF152_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52074104; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF153_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52049675; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF154_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52065477; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF155_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51972616; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF156_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52069740; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF157_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52080748; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF158_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52075352; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF159_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52012691; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51985398; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF160_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52035210; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF161_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51978914; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF162_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51921527; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF163_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51921920; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF164_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51936906; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF165_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51949916; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF167_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51881993; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF169_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52125124; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF171_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52108388; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF172_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52098690; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF175_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52116016; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3161 to 3180 of 4613
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