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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): 3041 to 3060 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF29_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49169534; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF290_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49297708; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF293_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49092720; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF294_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49095032; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF296_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49183591; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF299_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49095111; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49312519; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168650; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF307_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49173181; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF31_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49148421; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF32_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49178099; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF320_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49252608; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF33_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49033443; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168467; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF343_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49231077; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF35_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49165694; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF358_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49122867; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF36_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49193996; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF37_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49237658; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF376_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49238435; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3041 to 3060 of 4613
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