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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_CONF155_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97944484; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97696800; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1632_gas | Pla Terrada, Paula | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1165.3433548; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF103_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97420477; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF128_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97513321; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95407974; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97545122; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF77_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95245181; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF70_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95807000; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF57_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95304048; Eh |
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