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  • Author: xiucoi
  • Date: 10-09-2014, 00:42
10-09-2014, 00:42

Chief Architect Premier X6 x64

Category: Software

Chief Architect Premier X6 x64

Chief Architect Premier X6 x64 | 240 MB

Chemissian is an analyzing tool of molecules electronic structure and spectra. It can manipulate molecular orbital energy-level diagrams (Hartree-Fock and Kohn-Sham orbitals), calculated and experimental UV-VIS electronic spectra, Natural transition orbitals, electronic/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-Gamess, Firefly/PC-Gamess, Q-Chem, Molpro, NWChem, ORCA, Turbomole and Spartan quantum chemical program packages. Chemissian tools helps you to investigate nature of transitions in UV-vis spectra, bonding nature, etc.
Chemissian Features:
Build Molecular Orbitals energy level diagrams

Due to the integrated graphical editor it is easy to add text labels to the diagrams, make connector lines between MO energy levels, text labels, occupy the energy levels with the electrons:

You can analyze the electronic structure of molecules: you can move between energy levels simply using the keyboard cursor buttons and in a useful way obtain information about contributions to the current molecular orbital from atoms or molecular fragments and present the data in the most useful and demonstrative way: on the contribution diagram or directly on the MOs themselves:


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