Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jan-2026E8Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J; def2-TZVP-1137.89038262551389; Eh
thumbnail.jpeg28-Jan-2026E7Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J; def2-TZVP-1139.14996949233978; Eh
thumbnail.jpeg28-Jan-2026E9Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J; def2-TZVP-1153.99243655831992; Eh
thumbnail.jpeg28-Jan-2026F0Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J; def2-TZVP-1061.70151056712871; Eh
thumbnail.jpeg28-Jan-2026F1Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J; def2-TZVP-1101.05601251017401; Eh
thumbnail.jpeg24-Jun-2025/bis-PEtAm2Ph2 bis-PEtAm2Ph2_C2_2_PPrelaxedscan_7Pye, CoryGaussian; 03; AM64L-G03RevD.02Single point Structure---1975.86724623; Eh
thumbnail.jpeg24-Jun-2025/bis-PEtAm2Ph2 bis-PEtAm2Ph2_C2_2_PPrelaxedscan_4Pye, CoryGaussian; 03; AM64L-G03RevD.02Single point Structure---1965.23529741; Eh
thumbnail.jpeg28-Jan-2026G11Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J; def2-TZVP-1136.97758289256876; Eh
thumbnail.jpeg28-Jan-2026G10Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J; def2-TZVP-1101.06191277172911; Eh
thumbnail.jpeg24-Jun-2025/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_PPrelaxedguess_11Pye, CoryGaussian; 03; AM64L-G03RevD.02Single point Minimum---2896.86970693; Eh
Results 379681-379690 of 403438 (Search time: 0.273 seconds).