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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Oct-2022 | S5_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1450.78009265; -1452.44706849; Eh; Eh | |||
 | 6-Oct-2022 | S6 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1667.82737567; -1669.49677499; Eh; Eh | |||
 | 6-Oct-2022 | S5 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1450.89447770; -1452.52908716; Eh; Eh | |||
 | 6-Oct-2022 | S10_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -2559.13937308; -2561.00908686; Eh; Eh | |||
 | 6-Oct-2022 | S11_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -2594.11314676; -2595.99533170; Eh; Eh | |||
 | 6-Oct-2022 | S10 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -2559.26081758; -2561.08781798; Eh; Eh | |||
 | 6-Oct-2022 | S11 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -2594.21045784; -2596.10415604; Eh; Eh | |||
 | 6-Oct-2022 | S12 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1176.56139654; -1177.92871699; Eh; Eh | |||
 | 6-Oct-2022 | S1 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1448.46289009; -1450.12816998; Eh; Eh | |||
 | 6-Oct-2022 | S1_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1448.40173041; -1450.01815338; Eh; Eh |
Results 1-10 of 26 (Search time: 0.001 seconds).