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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018SP_MECP_VIII_singletBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-31g(d); sdd-1386.11442410; Eh
thumbnail.jpeg30-Aug-2018SP_MECP_III_singletBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-31g(d); sdd-1038.07588574; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3BJ_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-5080.5436272; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3BJ_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-8028.1841296; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3BJ_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-3259.7266785; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-3259.6427815; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3BJ_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-312.1398999; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-312.1269391; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-5080.4366606; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-8027.992979; Eh
Results 1-10 of 21 (Search time: 0.002 seconds).