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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Jul-2022/Complexes 2bOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-1709.60775274; Eh
thumbnail.jpeg1-Jul-2022/Ligands 1dOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-915.855778020; Eh
thumbnail.jpeg1-Jul-2022/Complexes 2dOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-1387.60695630; Eh
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