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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Dec-2020W_prop_Rh_unbound_ylideLaconsay, CroixGaussian; 09; EM64L-G09RevB.01Single point StructureUB3LYPGENECP-
Login required31-Mar-2021/dnppe dnppe_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-1235.1705207; Eh
Login required31-Mar-2021/P2BMe24_DMAP I-F-TS_M06Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-4930.899646; Eh
Login required31-Mar-2021/dnppe D_(M06)_(open_shell_singlet)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.5121103; Eh
Login required31-Mar-2021/dnppe E_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-3990.0663635; Eh
Login required31-Mar-2021/dnppe G_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-4221.5195223; Eh
Login required31-Mar-2021/dnppe G-H-TS_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-4221.5154208; Eh
Login required31-Mar-2021/dnppe F_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-2986.3784555; Eh
Login required31-Mar-2021/dnppe H_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-4221.5463009; Eh
Login required31-Mar-2021/dnppe C-D-TS_(M06)_(open_shell_singlet)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.4994152; Eh
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