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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jun-2021/solvent H2O_n=1Ortuño Maqueda, Manuel AngelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-76.3967261711; Eh
thumbnail.jpeg30-Jun-2021/solvent H3O+_n=1Ortuño Maqueda, Manuel AngelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-76.6705201505; Eh
thumbnail.jpeg30-Jun-2021/solvent H2O_n=3Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-229.220885201; Eh
thumbnail.jpeg30-Jun-2021/solvent H3O+_n=2Ortuño Maqueda, Manuel AngelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-153.126703366; Eh
thumbnail.jpeg30-Jun-2021/solvent H2O_n=2Ortuño Maqueda, Manuel AngelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-152.803167100; Eh
thumbnail.jpeg30-Jun-2021/solvent H3O+_n=4Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-305.991608730; Eh
thumbnail.jpeg30-Jun-2021/solvent H3O+_n=3Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-229.561560934; Eh
thumbnail.jpeg30-Jun-2021/solvent H2O_n=4Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-305.636630694; Eh
thumbnail.jpeg30-Jun-2021/solvent H2O_n=6Ortuño Maqueda, Manuel AngelGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) GEN-458.461079467; Eh
thumbnail.jpeg30-Jun-2021/solvent THF_n=1Ortuño Maqueda, Manuel AngelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) 6-31+G(D) 6-31G(D) GEN-232.295275899; Eh
Results 1-10 of 65 (Search time: 0.001 seconds).