1. Barcelona Supercomputing Center

Browsing by Author Morrow, Emma

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Oct-20255-mem_NMR_Conf1Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7700057; Eh
thumbnail.jpeg9-Oct-20255-mem_NMR_Conf2Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7698694; Eh
thumbnail.jpeg9-Oct-20255-mem_NMR_Conf3Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7687837; Eh
thumbnail.jpeg9-Oct-20255-mem_NMR_Conf4Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7687569; Eh
thumbnail.jpeg9-Oct-20255-mem_NMR_Conf5Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7666497; Eh
thumbnail.jpeg9-Oct-20255-mem_NMR_Conf6Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7664; Eh
thumbnail.jpeg9-Oct-20255-mem_NMR_Conf7Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.765621; Eh
thumbnail.jpeg9-Oct-20255-mem_NMR_Conf8Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7647383; Eh
thumbnail.jpeg9-Oct-20255-memb_isomer_Conf1Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7638305; Eh
thumbnail.jpeg9-Oct-20255-memb_isomer_Conf2Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7638245; Eh
thumbnail.jpeg9-Oct-20255-memb_isomer_Conf3Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7636122; Eh
thumbnail.jpeg9-Oct-20255-memb_isomer_Conf4Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.763495; Eh
thumbnail.jpeg9-Oct-20255-memb_isomer_Conf5Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7596709; Eh
thumbnail.jpeg9-Oct-20255-memb_isomer_Conf6Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7601955; Eh
thumbnail.jpeg9-Oct-20255-memb_isomer_Conf7Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-887.7590132; Eh
thumbnail.jpeg9-Oct-20256-memb_NMR_Conf1Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-849.6487805; Eh
thumbnail.jpeg9-Oct-20256-memb_NMR_Conf10Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-849.6476503; Eh
thumbnail.jpeg9-Oct-20256-memb_NMR_Conf11Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-849.6468063; Eh
thumbnail.jpeg9-Oct-20256-memb_NMR_Conf12Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-849.6472665; Eh
thumbnail.jpeg9-Oct-20256-memb_NMR_Conf13Morrow, EmmaGaussian; 16; ES64L-G16RevC.01Single point StructureRmPW1PW916-311+G(2D,P)-849.6488473; Eh
Showing results 1 to 20 of 45  next >