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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): 2401 to 2420 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF64_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85680838; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF65_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85616792; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF66_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85671579; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF68_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85662181; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF69_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85652246; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85521425; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85622014; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF71_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85642748; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF72_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85613319; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85477537; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF82_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85525464; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF84_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85524261; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85514774; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84504238; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84614447; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84632882; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84631914; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84629812; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84612256; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84632419; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2401 to 2420 of 4613
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