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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Mo-3-alt1Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1824.75601112; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-7-8-alt1Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2265.93119664; Eh
thumbnail.jpeg24-Jun-2019Mo-8Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2265.93962876; Eh
thumbnail.jpeg24-Jun-2019Mo-13Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2381.62106693; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-6-7-MeArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2265.93166626; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-CNMeArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2305.21146809; Eh
thumbnail.jpeg24-Jun-2019N-methylacetanilide-cisArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-479.258201116; Eh
thumbnail.jpeg24-Jun-2019Post_proton_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.44236538; Eh
thumbnail.jpeg24-Jun-2019Mo-3Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1824.75926830; Eh
thumbnail.jpeg24-Jun-2019Mo-9a-alt1Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.45178365; Eh
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