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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_CONF143_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97618529; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF144_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97618930; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF101_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97869522; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF84_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95332047; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF61_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95738446; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF62_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95731369; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF277_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95797279; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95378327; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95394257; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF242_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95716951; Eh |
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