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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_15_HOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) GEN-3466.19337362; Eh
thumbnail.jpeg30-Jun-2021/new_complexes Complex_19_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4319.27835680; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_17_HOrtuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-2133.16817146; Eh
thumbnail.jpeg30-Jun-2021/new_complexes Complex_18_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) GEN-1623.75945224; Eh
thumbnail.jpeg30-Jun-2021/new_complexes Complex_18_HOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) GEN-1623.34419957; Eh
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