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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Oct-2022 | S8 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -2637.77372535; -2639.69815629; Eh; Eh | |||
 | 6-Oct-2022 | S9 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -2598.54205333; -2600.39874746; Eh; Eh | |||
 | 6-Oct-2022 | S7 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1946.56275972; -1948.81384895; Eh; Eh | |||
 | 6-Oct-2022 | S12_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1176.45636329; -1177.81977500; Eh; Eh | |||
 | 6-Oct-2022 | TX_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -972.68593832; -973.46523500; Eh; Eh | |||
 | 6-Oct-2022 | TX | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -972.79877545; -973.56928854; Eh; Eh |
Results 21-26 of 26 (Search time: 0.002 seconds).