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DOI: 10.19061/iochem-bd-6-123
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Collection's Items (Sorted by Submit Date in Descending order): 2201 to 2220 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | triforine_RS_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.31024585; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30678029; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.31227658; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.31230164; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF23_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30828713; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30693464; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF32_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30986812; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.31258509; Eh | |||
 | 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_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30152850; 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_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.29801100; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF20_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30464627; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30448182; 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 | triforine_RS_CONF32_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30160162; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30549360; Eh | |||
 | 10-Feb-2022 | triforine_RS_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30051906; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2201 to 2220 of 4613
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