IboView -- A program for chemical analysis
IboView is a program for analyzing molecular electronic structure, based on Intrinsic Atomic Orbitals (IAOs)
. IboView's main features include:
Visualization of electronic structure from first-principles DFT, in terms of intuitive concepts (partial charges, bond orders, bond orbitals)---even in systems with complex or unusual bonding.
Publication quality graphics, very fast visualizations, and a simple user interface
Import of wave functions from Molpro, Orca, Molcas, and Turbomole. IboView can also compute simple Kohn-Sham wave functions by itself, using the embedded MicroScf program. Additionally, IboView can be used as a plain orbital viewer if advanced analysis features are not required.
Visualization of electronic structure changes along reaction paths. Using the techniques described Electron flow in reaction mechanisms---revealed from first principles and implemented in IboView, curly arrow reaction mechanisms can be determined directly from first principles!
IboView is developed by the Gerald Knizia group (initially at Universität Stuttgart, now at the Pennsylvania State University).
IboView v20211019 is made available (windows + linux version). This is a pre-release version of IboView 2021, with many improved features and import support, but some remaining known problems (see included documentation). In particular, support for Orca and Turbomole is improved --- IboView can call the corresponding converters automatically, so that .gbw files and control files can be loaded directly.