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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jul-2022 | THF | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G** 6-31+G* GEN | -232.354615349; Eh | |||
 | 1-Jul-2022 | /Ligands 1c | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G** 6-31+G* GEN | -1068.22440146; Eh | |||
 | 1-Jul-2022 | /Ligands 1a | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G** 6-31+G* GEN | -1084.25975238; 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 |
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