Critical Points and Catastrophes of Molecular Electrostatic potential

Abstract

The present work deals with the construction of an approach to find critical points of a 3-D scalar field(Molecular Electrotatic Potential). This approach gives an insight to the zero flux surfaces which help us visualize critical points using Euler Characterstic. Along with the marching cubes, some catastrophe theory on some reaction pathways of molecules has also been performed as the transition state has been compared to reactant or product.