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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jul-2022 | /Complexes 2b | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1709.60775274; Eh | ||||
1-Jul-2022 | /Ligands 1d | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G** 6-31+G* GEN | -915.855778020; Eh | ||||
1-Jul-2022 | /Complexes 2d | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1387.60695630; Eh |
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