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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-May-2023 | 7_TMU_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -685.89826514; Eh | |||
 | 3-May-2023 | 3_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -685.00243153; Eh | |||
 | 3-May-2023 | 5_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -305.70218612; Eh | |||
 | 3-May-2023 | 4_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -404.59117641; Eh | |||
 | 3-May-2023 | 6_TMU_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -787.73960191; Eh | |||
 | 3-May-2023 | 3_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -687.72341943; Eh | |||
 | 3-May-2023 | 5_gas_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point Minimum | DFT | - | -306.97910667; Eh | |||
 | 3-May-2023 | TMS_cation_ex34_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVQZ/C | -407.68894683; Eh | |||
 | 3-May-2023 | TMS_cation_ex34_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DFT | - | -408.43735130; Eh | |||
 | 3-May-2023 | fluoride_MeCN_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -99.59047199; Eh |
Results 11-20 of 216 (Search time: 0.001 seconds).