Search Results


10.5 Visualizing and Plotting Volumetric Quantities

10.5.1 Introduction

(May 7, 2024)

The free, open-source visualization program IQmol (www.iqmol.org) provides a graphical user interface for Q-Chem that can be used as a molecular structure builder, as a tool for local or remote submission of Q-Chem jobs, and as a visualization tool for densities and molecular orbitals. Alternatively, Q-Chem can generate orbital and density data in formats suitable for plotting with various third-party visualization programs.