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Collection hits:
Collection Name
NHC-switch
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required3-Nov-20252QNAhmed, RakaSiesta; NO_VERSION_LABEL_AVAILABLEGeometry optimizationGGAPBE-----
Login required3-Nov-20251HQNAhmed, RakaSiesta; NO_VERSION_LABEL_AVAILABLEGeometry optimizationGGAPBE-----
Login required3-Nov-20251QNAhmed, RakaSiesta; NO_VERSION_LABEL_AVAILABLEGeometry optimizationGGAPBE-----
thumbnail.jpeg7-Nov-2025TMM-TripletLeitherer, SusanneGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-155.786627031; Eh
thumbnail.jpeg7-Nov-2025C14Leitherer, SusanneGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-540.133227836; Eh
thumbnail.jpeg7-Nov-2025C10Leitherer, SusanneGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-386.626717266; Eh
thumbnail.jpeg7-Nov-2025TME_Leitherer, SusanneGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-233.131243667; Eh
thumbnail.jpeg7-Nov-2025C8Leitherer, SusanneGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-309.315078475; Eh
thumbnail.jpeg7-Nov-2025TMELeitherer, SusanneGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2TZVP-233.116855579; Eh
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