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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): 3221 to 3240 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF221_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52078212; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF222_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52185231; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF224_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52217104; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF225_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52093777; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF227_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51984848; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF229_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52211351; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF23_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51998800; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF230_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52092342; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF232_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52091548; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF234_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51957432; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52006569; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF244_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51913878; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF245_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51908475; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF248_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51951533; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF25_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52053566; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF252_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52357489; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF253_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52246099; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF255_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52293088; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF256_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52376168; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF257_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52291879; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3221 to 3240 of 4613
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