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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): 2381 to 2400 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85663673; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF47_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85656232; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF48_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85663651; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF49_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85637644; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85633608; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF50_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85669580; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF51_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85640086; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85633337; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF53_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85578384; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85663165; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF55_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85658127; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF56_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85659751; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF57_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85660562; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF58_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85653653; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF59_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85639997; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85518635; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF60_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85635893; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85657239; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF62_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85623747; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF63_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85671323; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2381 to 2400 of 4613
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