Chemissian is an application to manipulate molecular orbital energy-level diagrams (Hartree-Fock and Kohn-Sham orbitals), calculate and experiment UV-VIS electronic spectra, electronic or spin density maps, and prepare them for publication. Chemissian has a user-friendly graphical interface and lets you examine and visualize data from the output of Gaussian, US-Games, Firefly/PC-Games, Q-Chem, Molpro, NWChem, and Spartan quantum chemical program packages. Chemissian tool helps you to investigate nature of transitions in UV-vis spectra and bonding nature. Features include build molecular orbital energy level diagrams, build, visualize, and interpret UV-Visible spectra, analyze electronic density distribution, calculate populations and valences, calculate quantum-chemical bond order indexes and overlap populations, work with several calculations at the same time, and save the results in a single file.
Comments not found