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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2023 | u-et-mono | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P); def-TZVP | -2136.414856388; Eh | |||
 | 24-Jul-2023 | nd-tbut-mono | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P) | -2692.467610036; Eh | |||
 | 24-Jul-2023 | u-ipr-mono | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P); def-TZVP | -2372.211155367; Eh | |||
 | 24-Jul-2023 | tb-ipr-dimer | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P) | -5440.362720304; Eh | |||
 | 24-Jul-2023 | tb-ipr-mono | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P) | -2720.167500577; Eh | |||
 | 24-Jul-2023 | u-tbut-dimer | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P); def-TZVP | -5216.032024083; Eh | |||
 | 24-Jul-2023 | u-ph-mono | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P); def-TZVP | -3050.522486749; Eh | |||
 | 24-Jul-2023 | nd-ph-dimer | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P) | -6270.026338843; Eh | |||
 | 24-Jul-2023 | nd-ph-mono | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P) | -3134.992312371; Eh | |||
 | 24-Jul-2023 | u-et-dimer-dangling | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def2-SV(P); def-TZVP | -4272.826812430; Eh |
Results 11-20 of 38 (Search time: 0.002 seconds).