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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_CONF235_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95485040; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF198_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95362364; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF187_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95511280; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF189_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95515968; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF188_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95517174; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF192_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95747982; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF178_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95550084; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF177_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95806005; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95357315; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF175_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95807022; Eh |
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