Crack Software DownloadChemissian v3.3
NEW Visualisation of TDDFT UV-VIS spectra from NWChem output filesConsiderably increased speed of 3D-surfaces renderingImprovements in Plot & Analyze UV-VIS spectrum Tool: Spectra diagram is now scaled automatically to fill all the window (by default). However, it is still possible to manually set height and width in the spectrum options window (Edit -> Edit spectrum options). Export line spectrum to text file (Plot -> Export calculated peaks) Export spectrum shape to text file (Plot -> Export calculated shapes). In an exported *.txt file there will be two columns. The first column corresponds to the energy values (wavelengths) (in selected units). Second is the shape-function value. If there are several calculated spectra there will be additional columns. Energy-axis in , with...