Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Apr-2024/1_1 frq_explsolv_opt_w_bMartins, FredericoOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-TZVP-4924.34553978; Eh
thumbnail.jpeg10-Apr-2024/NNLA_PES ltang_sp172_w_bMartins, FredericoOrca; 5.0.4; RELEASESingle pointDFTdef2-TZVP-4924.34551513; Eh
thumbnail.jpeg10-Apr-2024/1_1 explsolv_opt_w_alMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-5141.97216357; Eh
thumbnail.jpeg10-Apr-2024/NNLA_PES ltang_es_w_bMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-4924.34955252; Eh
thumbnail.jpeg10-Apr-2024/1_1 explsolv_opt_w_bMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-4924.23781123; Eh
thumbnail.jpeg10-Apr-2024explsolv_alc6f5Martins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-2698.53617358; Eh
thumbnail.jpeg10-Apr-2024explsolv_bc6f5Martins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-2480.78339420; Eh
thumbnail.jpeg10-Apr-2024/NNLA_PES ltang_es_w_alMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-5142.01070964; Eh
thumbnail.jpeg10-Apr-2024frq_wMartins, FredericoOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-TZVP-2443.43902381; Eh
Results 501-509 of 509 (Search time: 0.001 seconds).