quantum chemistry (24) orbitals (6) andrew gilbert (3) iqmol (2) qchem (2) molecular viewer (2) densities (2) wavefunction (2)
IQmol is a free open-source molecular editor and visualization package. It offers a range of features including a molecular editor, surface generation (orbitals and densities) and animations (vibrational modes and reaction pathways). IQmol is written using the Qt libraries which enables it to run on a range of platforms including OS X, Windows and Linux. It has been integrated with the Q-Chem quantum chemistry package and offers an intuitive enviroment to set up, run, and analyse Q-Chem calculations. Howeve
Version 3.1 is now available! See the downloads page for links to the latest version.
User Guide now available! An illustrated User Guide is now available which provides a gentle introduction to IQmol.