Search        

Current filters:
Add filters:

Use filters to refine the search results.

  • previous
  • 1
  • next
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_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_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_D3_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-8027.992979; 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
Results 1-8 of 8 (Search time: 0.001 seconds).