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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Mo-1cArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1795.74903391; Eh
thumbnail.jpeg24-Jun-2019Post_hydride_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.43681816; Eh
thumbnail.jpeg26-Aug-2020TS2fDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM066-31G** 6-31G* LANL2DZ GEN-1469.63448955; Eh
thumbnail.jpeg24-Jun-2019Mo-9a-KArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2378.07315066; Eh
thumbnail.jpeg24-Jun-2019Mo-14Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1941.61641406; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-6-7-LiArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2111.18456772; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-CNHArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2265.91885135; Eh
thumbnail.jpeg24-Jun-2019Mo-8Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2265.93962876; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-12-13Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2381.61995093; Eh
thumbnail.jpeg24-Jun-2019FormaldehydeArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-114.444173546; Eh
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