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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2019Mo-4-alt1Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2487.87332776; 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 I_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-2986.3326056; Eh
Login required31-Mar-2021/P2BMe24_DMAP B_M06Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-7867.8152603; Eh
Login required31-Mar-2021/P2BMe24_DMAP A_M06Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-7867.8387214; Eh
Login required31-Mar-2021/P2BMe4 A_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-4810.9254021; Eh
thumbnail.jpeg27-Aug-2019Fe-ts-10-11Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2123.23274107; Eh
thumbnail.jpeg27-Aug-2019Mo-ts-9a-12Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1940.43939441; Eh
thumbnail.jpeg27-Aug-2019Mo-16Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2381.64425338; Eh
Login required31-Mar-2021/dnppe I-F-TS_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-2986.3298466; Eh
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