A New Atomic Deformation Constraint Rule and Its Application

2018 · doi:10.26434/chemrxiv.5857875.v1
preprint OA: closed CC-BY-NC-ND-4.0
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Abstract

A new principle of steady state of atoms in heteronuclear diatomic molecules based on constraint rule is proposed. Each atom in a heteronuclear diatomic molecule is described by three parameters a, b and ζand the atoms are the most stable when the value ζa/b is constant(2.601824). This model has one free parameter which was fitted by the graphical method.The calculated dissociation energy are in good agreement with the known experimental values.

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License: CC-BY-NC-ND-4.0