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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2020 | /SupportingStructures/Benchmark/dlpno_ccpVTZ TS2N | Pérez-Soto, Raúl | Orca; 4.0.1.2; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVTZ; AutoAux | -768.28645419; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Solvation/dlpno/vacuum NButylamine | Pérez-Soto, Raúl | Orca; 4.0.1.2; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVTZ; AutoAux | -212.39929944; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/dlpno_ccpVQZ Hemiaminal | Pérez-Soto, Raúl | Orca; 4.0.1.2; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVQZ; AutoAux | -556.00004279; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/dlpno_ccpVTZ Benzanaldehyde | Pérez-Soto, Raúl | Orca; 4.0.1.2; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVTZ; AutoAux | -343.56067849; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Solvation/dlpno/solution TS2 | Pérez-Soto, Raúl | Orca; 4.0.1.2; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVTZ; AutoAux | -555.88299178; Eh | |||
 | 30-May-2021 | /benchmarking/DLPNO-CCSDT-cc-pVTZ NiCODdppf | Nelson, David | Orca; 4.2.1; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVTZ; cc-pVTZ/C | -5064.75703004; Eh | |||
 | 30-May-2021 | /benchmarking/DLPNO-CCSDT-cc-pVTZ Nidppf2 | Nelson, David | Orca; 4.2.1; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVTZ; cc-pVTZ/C | -8002.78970376; Eh | |||
 | 30-May-2021 | /benchmarking/DLPNO-CCSDT-cc-pVTZ dppf | Nelson, David | Orca; 4.2.1; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVTZ; cc-pVTZ/C | -3248.06564033; Eh | |||
 | 30-May-2021 | /benchmarking/DLPNO-CCSDT-cc-pVTZ COD | Nelson, David | Orca; 4.2.1; RELEASE | Single point | DLPNO-CCSD(T) | cc-pVTZ; cc-pVTZ/C | -309.99804789; Eh |
Results 71-79 of 79 (Search time: 0.001 seconds).