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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): 2261 to 2280 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF56_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84635979; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF57_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84637141; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF58_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84633463; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF59_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84653871; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84312213; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF60_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84637546; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF61_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84626591; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF62_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84634998; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF63_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84629937; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF64_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84621298; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF65_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84630170; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF66_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84617586; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF68_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84628235; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF69_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84626063; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84333139; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF70_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84510628; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF71_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84634026; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF72_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84625570; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84354232; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF80_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84447028; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2261 to 2280 of 4613
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