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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_2_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-3970.88180575; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_2_HOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-3970.46102595; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_3_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-1771.62565844; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_3_HOrtuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-1771.22460343; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_4_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point MinimumRM06SDD 6-31G(D) 6-31G(D,P) GEN-1968.07177083; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_5_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-3482.30395832; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_5_HOrtuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-3481.86424743; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_4_HOrtuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point StructureRM06SDD 6-31G(D) 6-31G(D,P) GEN-1967.66024194; 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
Results 21-30 of 65 (Search time: 0.001 seconds).