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At a simple level, two interacting neutral atoms are subject to two opposing forces: firstly, they are weakly attracted by van der Waals forces; secondly they are repelled by Pauli repulsion. It is known that the van der Waals forces decay proportional to the sixth power of the separation and that the effects of the Pauli repulsion decay exponentially.
In 1924 it was suggested by Lennard and Jones that the potential energy of a system of two atoms separated by a distance r could be approximated by
V(r) = 4\epsilon\left[\left(\frac{\sigma}{r}\right)^{12}-\left(\frac{\sigma}{r}\right)^6\right]
A simple method of defining the coefficients in the equations of chemical reactions with the help of a system of linear algebraic equations.
A brief outline of the mathematical issues faced by chemistry students.
Explore the possibilities for reaction rates versus concentrations with this non-linear differential equation