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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Mo-1aArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G** GENECP-2123.28815542; 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-1cArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1795.74903391; Eh
thumbnail.jpeg19-Mar-2021Na2-I2Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.59398721; Eh
thumbnail.jpeg19-Mar-2021Na2-TSMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.57637927; Eh
thumbnail.jpeg19-Mar-2021Fe2-RMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3739.98626521; Eh
thumbnail.jpeg19-Mar-2021Na2-PMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2540.71005946; Eh
thumbnail.jpeg19-Mar-2021NaFe-Dioxane_TS4Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3941.36454321; Eh
thumbnail.jpeg19-Mar-2021NaFe-Dioxane_TS3Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3941.37399400; Eh
thumbnail.jpeg19-Mar-2021NaFe-Dioxane_TS5Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3941.36897050; Eh
Results 1-10 of 268 (Search time: 0.002 seconds).