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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_1_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-3511.26382541; Eh
thumbnail.jpeg30-Jun-2021/solvent THF_n=3_non-stackedOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) 6-31G(D) GEN-696.901272851; Eh
thumbnail.jpeg30-Jun-2021/solvent THFH+_n=3Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) 6-31G(D) GEN-697.287068922; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_6_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-1938.12753302; Eh
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/initial_complexes Complex_16_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-1937.14184663; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_16_HOrtuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-1936.72702227; Eh
Results 41-50 of 65 (Search time: 0.001 seconds).