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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): 441 to 460 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | cyproconazole_RR_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17223073; Eh | |||
 | 22-Dec-2021 | cyproconazole_RR_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17328987; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.16096083; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.15737801; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.15551606; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.15741469; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.15658282; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18683882; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18389598; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18388293; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18388909; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.18279428; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17782681; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17444774; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17498483; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF23_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17485009; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17473242; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17526451; Eh | |||
 | 22-Dec-2021 | cyproconazole_RS_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17355965; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66789990; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 441 to 460 of 9778
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