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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF39_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85587876; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85507438; Eh | |||
 | 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_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85633337; 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_CONF56_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85659751; 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_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85622014; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85514774; Eh |
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