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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | triforine_RS_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30838382; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30930694; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30332816; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF23_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30239948; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30020911; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84517077; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84350655; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84508527; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF42_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84498619; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF53_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84651029; Eh |
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