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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Oct-2022 | S2 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1771.54287793; -1773.30458081; Eh; Eh | |||
 | 6-Oct-2022 | S2_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1771.43179280; -1773.22028388; Eh; Eh | |||
 | 6-Oct-2022 | S3_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1336.36429369; -1337.90286430; Eh; Eh | |||
 | 6-Oct-2022 | S4_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1411.51296443; -1413.14255710; Eh; Eh | |||
 | 6-Oct-2022 | S3 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1336.40757730; -1337.98332726; Eh; Eh | |||
 | 6-Oct-2022 | S4 | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1411.62471903; -1413.21997853; Eh; Eh | |||
 | 6-Oct-2022 | S8_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -2637.67396936; -2639.61838166; Eh; Eh | |||
 | 6-Oct-2022 | S9_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -2598.41019636; -2600.32030053; Eh; Eh | |||
 | 6-Oct-2022 | S6_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1667.70797084; -1669.41790926; Eh; Eh | |||
 | 6-Oct-2022 | S7_trip | Katzenburg, Felix | Orca; 5.0.3; RELEASE | Geometry optimization Minimum; Single point | UKS; UKS | def2-SVP; def2-TZVPP | -1946.45901072; -1948.72893049; Eh; Eh |
Results 11-20 of 26 (Search time: 0.001 seconds).