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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Dec-2023 | plus-0_10 | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Restricted geometry optimization | U-DFT | def-TZVP; def2-TZVP | -1026.335871500; Eh | |||
 | 6-Dec-2023 | minus-0_05 | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Restricted geometry optimization | U-DFT | def-TZVP; def2-TZVP | -1026.336400552; Eh | |||
 | 6-Dec-2023 | minus-0_10 | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Restricted geometry optimization | U-DFT | def-TZVP; def2-TZVP | -1026.335778250; Eh | |||
 | 6-Dec-2023 | plus-0_05 | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Restricted geometry optimization | U-DFT | def-TZVP; def2-TZVP | -1026.336394729; Eh | |||
 | 6-Dec-2023 | turbo | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -1026.337958590; Eh | |||
 | 6-Dec-2023 | turbo | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -1261.994295974; Eh | |||
 | 6-Dec-2023 | turbo | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -908.5049108024; Eh | |||
 | 6-Dec-2023 | turbo | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -829.9372861487; Eh | |||
 | 6-Dec-2023 | turbo | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -790.6531251576; Eh | |||
 | 6-Dec-2023 | turbo | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -1026.368465425; Eh |
Results 1-10 of 24 (Search time: 0.001 seconds).