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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.jpeg24-Jun-2019Mo-1aArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G** GENECP-2123.28815542; Eh
thumbnail.jpeg27-Aug-2019Mo-ts-14-15Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2381.62157068; Eh
thumbnail.jpeg27-Aug-2019Mo-ts-12-13-LiArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1786.86313790; Eh
thumbnail.jpeg19-Mar-2021Na2-RMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2686.37109068; Eh
thumbnail.jpeg27-Aug-2019Mo-4-alt2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2487.85152738; Eh
thumbnail.jpeg27-Aug-2019Mo-ts-12-13Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1941.61009948; Eh
thumbnail.jpeg27-Aug-2019Mo-ts-9a-12Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1940.43939441; Eh
thumbnail.jpeg27-Aug-2019Mo-4-alt3Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2487.85481184; Eh
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