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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_7_HOrtuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) GEN-3470.38070251; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_7_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-3470.81416000; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_6_HOrtuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-1937.68832614; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_8_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-4038.77006357; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_8_HOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-4038.46292786; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_9_H2Ortuño Maqueda, Manuel AngelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31+G(D) 6-31G(D,P) GEN-477.505498528; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_9_HOrtuño Maqueda, Manuel AngelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31+G(D) 6-31G(D,P) GEN-477.274968941; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_10_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-374.064369014; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_10_HOrtuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-373.775142554; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_12_HOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-932.336907412; Eh
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