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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): 2301 to 2320 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF28_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86230303; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF29_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86288164; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF30_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86244887; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF31_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86295989; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF34_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86312824; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF35_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86338771; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF37_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86329305; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF38_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86299849; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF39_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86279577; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86123783; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF40_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86328542; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86307753; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF42_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86226753; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF43_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86332946; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF44_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86240406; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF45_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86339090; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF46_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86343887; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF47_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86330992; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF48_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86329737; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF49_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86311187; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2301 to 2320 of 4613
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