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DOI: 10.19061/iochem-bd-6-121
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Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | cyproconazole_RR_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18570901; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18199774; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18278192; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18199881; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18207213; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18133540; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17689252; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17292798; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF13_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17329546; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17341140; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17361697; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF17_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17283284; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17210396; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF19_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17229202; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17663386; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF20_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17179169; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17386996; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17349575; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17387917; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF67_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17310432; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 9778
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