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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 3-May-2023 | Bipy_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -494.30682530; Eh | |||
![]() | 3-May-2023 | 8_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -554.72716319; Eh | |||
![]() | 3-May-2023 | 4_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -406.03306542; Eh | |||
![]() | 3-May-2023 | 11b_MeCN_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -855.45980577; Eh | |||
![]() | 3-May-2023 | 7_Py_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -554.72980421; Eh | |||
![]() | 3-May-2023 | 13a_MeCN_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -558.21838952; Eh | |||
![]() | 3-May-2023 | 13b_MeCN_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -839.85186942; Eh | |||
![]() | 3-May-2023 | TMU_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -381.69598865; Eh | |||
![]() | 3-May-2023 | DMAP_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -381.43662616; Eh | |||
![]() | 3-May-2023 | D1_MeCN_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -935.51181090; Eh |
Results 61-70 of 81 (Search time: 0.002 seconds).