SYSTEM AND METHOD OF COMPUTING AND RENDERING THE NATURE OF POLYATOMIC MOLECULES AND POLYATOMIC MOLECULAR IONS

摘要

A method and system of physically solving the charge, mass, and current density functions of polyatomic molecules, polyatomic molecular ions, diatomic molecules, molecular radicals, molecular ions, or any portion of these species using Maxwell's equations and computing and rendering the physical nature of the chemical bond using the solutions. The results can be displayed on visual or graphical media. The display can be static or dynamic such that electron motion and specie's vibrational, rotational, and translational motion can be displayed in an embodiment. The displayed information is useful to anticipate reactivity and physical properties. The insight into the nature of the chemical bond of at least one specie can permit the solution and display of those of other species to provide utility to anticipate their reactivity and physical properties.