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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Mo-5-1atmArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31+G** GENECP-1825.95569643; Eh
thumbnail.jpeg24-Jun-2019Mo-8Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2265.93962876; Eh
thumbnail.jpeg24-Jun-2019Mo-15Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1941.61047797; Eh
thumbnail.jpeg24-Jun-2019Formanilide-transArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-400.692607514; Eh
thumbnail.jpeg24-Jun-2019N-methylanilineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-326.680166980; Eh
thumbnail.jpeg24-Jun-2019FormaldehydeArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-114.444173546; Eh
thumbnail.jpeg24-Jun-2019Mo-9b-alt1Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31+G**-1979.74036353; Eh
thumbnail.jpeg24-Jun-2019Post_proton_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.44236538; Eh
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