Energy terms in potential function
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چکیده
where r is the distance between covalently bonded atoms , a is the corresponding equilibrium distance, and ka is the spring constant. The equilibrium distance between atoms can be obtained from X-ray diffraction experiments or using ab initio quantum calculations. The spring constant can be determined using the results of infrared adsorption and Raman spectroscopy. The frequency of bond length fluctuation in Eq. (1)
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