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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Jun-2019Mo-14Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1941.61641406; Eh
Login required24-Jun-2019H2-1atmArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-1.16908755242; Eh
Login required24-Jun-2019H2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-1.16908755242; Eh
Login required24-Jun-2019Mo-ts-6-7-MeArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2265.93166626; Eh
Login required24-Jun-2019Mo-ts-CNMeArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2305.21146809; Eh
Login required24-Jun-2019N-methylacetanilide-transArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-439.965178533; Eh
Login required24-Jun-2019N-methylacetanilide-cisArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-479.258201116; Eh
Login required24-Jun-2019Fe-ts-12-13Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2123.23274107; Eh
Login required24-Jun-2019Formanilide-transArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-400.692607514; Eh
Login required24-Jun-2019Formanilide-cisArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-400.693157100; Eh
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