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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_11_HOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-777.632056207; 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_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_11_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-778.073188592; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_14_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) GEN-3499.77347116; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_14_HOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) GEN-3499.34057606; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_17_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-2133.58900411; Eh
thumbnail.jpeg30-Jun-2021/new_complexes Complex_22_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-3583.24527036; Eh
Results 31-40 of 65 (Search time: 0.002 seconds).