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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg1Solé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDLANL2DZ 6-31G(D,P) GENECP-1831.94098188; Eh
thumbnail.jpeg2Solé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDLANL2DZ 6-31G(D,P) GENECP-1832.06883329; Eh
thumbnail.jpeg2primaSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDLANL2DZ 6-31G(D,P) GENECP-1371.70834251; Eh
thumbnail.jpeg3Solé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDLANL2DZ 6-31G(D,P) GENECP-1371.83549715; Eh
thumbnail.jpeg4aSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDLANL2DZ 6-31G(D,P) GENECP-1372.30616151; Eh
thumbnail.jpeg4bSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDLANL2DZ 6-31G(D,P) GENECP-1372.31823278; Eh
thumbnail.jpegTS4a-4bSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDLANL2DZ 6-31G(D,P) GENECP-1372.27700443; Eh
thumbnail.jpeg5aSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDLANL2DZ 6-31G(D,P) GENECP-1372.43007707; Eh
thumbnail.jpeg5bSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDLANL2DZ 6-31G(D,P) GENECP-1372.44365062; Eh
thumbnail.jpegTS-CO2RR-TEOAassistedSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDLANL2DZ 6-31G(D,P) GENECP-2078.87856190; Eh
thumbnail.jpegTS-HERSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDLANL2DZ 6-31G(D,P) GENECP-1890.82229266; Eh
thumbnail.jpegTS-CO2RR-unassistedSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDLANL2DZ 6-31G(D,P) GENECP-1560.93578331; Eh
thumbnail.jpegTS5a-5bSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDLANL2DZ 6-31G(D,P) GENECP-1372.39662855; Eh
thumbnail.jpegadduct_3-HTEOASolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDLANL2DZ 6-31G(D,P) GENECP-1890.26200906; Eh
thumbnail.jpegTS3-4aSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDLANL2DZ 6-31G(D,P) GENECP-1890.23473587; Eh
thumbnail.jpegTEOASolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDGEN-517.914749547; Eh
thumbnail.jpegTEOA_cat-radSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDGEN-517.714884767; Eh
thumbnail.jpegTEOA-radSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDGEN-517.257042393; Eh
thumbnail.jpegTEOA_catSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDGEN-517.145248760; Eh
thumbnail.jpegTEOA-enolSolé-Daura, AlbertGaussian; 16; ES64L-G16RevB.01RwB97XDGEN-516.686523310; Eh
thumbnail.jpegTEOA-aldehydeSolé-Daura, AlbertGaussian; 16; ES64L-G16RevB.01RwB97XDGEN-516.699945000; Eh
thumbnail.jpegRu(bpy)3Solé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01RwB97XDGEN-1579.46071324; Eh
thumbnail.jpegRu(bpy)3-3MLCTSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDGEN-1579.37570140; Eh
thumbnail.jpegRu(bpy)3-oxSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDGEN-1579.24909467; Eh
thumbnail.jpegRu(bpy)3-redSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01UwB97XDGEN-1579.56066998; Eh
Results 1-25 of 32 (Search time: 0.005 seconds).