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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): 2521 to 2540 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_Z_CONF31_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85631234; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF32_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85598744; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF33_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85627840; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF34_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85626322; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85555839; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF38_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85626240; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF39_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85612431; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85650499; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF42_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85594593; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF43_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85584981; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85648611; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF51_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85630024; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85602964; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85583195; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85669714; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85608690; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85658480; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RR_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87098092; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RR_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87097354; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RR_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87089175; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2521 to 2540 of 4613
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