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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-May-2023 | pyridine | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVDZ GEN | -246.721568857; Eh | ||||
10-May-2023 | HCN-IF | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVTZ GEN | -487.012118693; Eh | ||||
10-May-2023 | pyr-C6F5Br | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVDZ GEN | -1386.62572220; Eh | ||||
10-May-2023 | C6F5Cl | Iglesias-Reguant, Alex | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | RMP2-Full | AUG-CC-PVDZ GEN | -1183.91786982; Eh |
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- 11 RMP2-Full