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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | triflumizole_E_CONF175_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95807022; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF151_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95618361; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF153_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95612862; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF202_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97715967; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF197_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.98026333; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF172_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97827815; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF168_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.98002647; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF161_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97683962; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF162_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97823565; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF131_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97884831; Eh |
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