It is possible to move between energy levels simply using the keyboard or the mouse cursor. One can analyze the electronic structure of molecules.Due to the integrated graphical editor it is easy to add text labels to MO diagrams, add connecting lines between MO energy levels, occupy the energy levels with the electrons:.Chemissian tools can be used to investigate the nature of transitions in UV-vis spectra, bonding nature, etc.įor the news see news page Chemissian Features: Build Molecular Orbitals energy level diagrams
Chemissian has a user-friendly graphical interface and lets you examine and visualize the data from the output files generated by Gaussian, US-Gamess, Firefly/PC-Gamess, Q-Chem, Molpro, NWChem, ORCA, Turbomole and Spartan quantum chemical program packages. It allows one to build and analyze molecular orbital energy-level diagrams (Hartree-Fock and Kohn-Sham) analyze calculated experimental UV-VIS electronic spectrum and compare it with experimental one on the same plot calculate and visualize natural transition orbitals, electronic and spin densities and prepare them for publication. Chemissian is an analyzing tool of the molecule electronic structure and spectra.