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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.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.jpeg27-Aug-2019Mo-4-alt2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2487.85152738; Eh
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/dnppe G_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-4221.5195223; Eh
Login required31-Mar-2021/P2BMe4 I-F-TS_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-3402.4601722; Eh
Login required31-Mar-2021/P2BMe4 G-H-TS_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-5053.8335882; Eh
Login required31-Mar-2021/P2BMe4 H_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-5053.8535622; Eh
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