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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): 2441 to 2460 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_Z_CONF41_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84437940; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF42_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84458447; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF43_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84409816; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84464512; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF45_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84460293; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF46_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84436449; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF47_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84443471; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84617843; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84424650; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF51_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84421016; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF56_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84419018; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84494872; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84621171; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84610312; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84608922; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86332655; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86280894; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86360833; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86357843; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86366995; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2441 to 2460 of 4613
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