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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Jul-2022/Ligands 1cOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-1068.22440146; 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/Ligands 1aOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-1084.25975238; Eh
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