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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-May-2023 | B1_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -1760.63105052; Eh | |||
 | 3-May-2023 | Bipy_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -494.31606591; Eh | |||
 | 3-May-2023 | A3_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -801.74778930; Eh | |||
 | 3-May-2023 | B3_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -800.56841514; Eh | |||
 | 3-May-2023 | DIBipy_MeCN_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -800.58871884; Eh | |||
 | 3-May-2023 | DIPy_MeCN_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -554.02377075; Eh | |||
 | 3-May-2023 | B3_MeCN_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -800.58960271; Eh | |||
 | 3-May-2023 | Ph2CBipy_open_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -994.20800808; Eh | |||
 | 3-May-2023 | 6_DMAP_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -787.57717767; Eh | |||
 | 3-May-2023 | 7_DMAP_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -688.51142910; Eh |
Results 31-40 of 81 (Search time: 0.001 seconds).