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The second equation (P > 3.02) is used to prevent two atoms from mathematically fusing when they get too close.
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In the case where the center of the electron density of an atom does not coincide with the center of the mass due to the electron delocalization in the chemical bond (X-H bond: X = any nonhydrogen atom, for example), the reduction of the van der Waals radius of the corresponding atom is usually carried out in the MM3 force field. With regard to the van der Waals radius of lithium in the lithium amide, reduction by 15% was the best value to reproduce the calculated results done by the quantum mechanical methods.
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