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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Hydride_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1940.40828088; Eh
thumbnail.jpeg24-Jun-2019N-methylformanilide-transArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-439.965178533; Eh
thumbnail.jpeg24-Jun-2019Mo-10-alt2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2225.50729563; Eh
thumbnail.jpeg24-Jun-2019Proton_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31+G** GENECP-1940.43500138; Eh
thumbnail.jpeg24-Jun-2019Mo-12Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2381.62971876; Eh
thumbnail.jpeg24-Jun-2019HemiaminalArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-441.149351664; Eh
thumbnail.jpeg24-Jun-2019Post_hydride_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.43681816; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-6-7NHArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2226.65650825; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-CNMeArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2305.21146809; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-12-13Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2381.61995093; Eh
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