Force constant of bond

The stabilization of the radical cation by forming a polaron is a trade-off between its delocalization and the energy required to distort the DNA structure. The former lowers the kinetic energy of the intrinsically quantum mechanical migrating radical cation, and the latter will be determined by factors that are independent of specific base sequence, such as the force constants of bonds in the sugar diphosphate backbone. 

C and H, respectively, places the frequency of the C—H bond vibration at 3032 cm Actually, C—H stretching vibrations, associated with methyl and methylene groups, are generally observed in the region between 2960 and 2850 cm-1. The calculation is not highly accurate because effects arising from the environment of the C—H within a molecule have been ignored. The frequency of IR absorption is commonly used to calculate the force constants of bonds. 

Other important and effective approaches to computational chemistry are those called Empirical Force-Field methods (EFF methods), based on a mechanistic view of the molecule in terms of force constants of bonds, bending, torsion and other special interaction terms. The set of force constants constitutes a field of empirical parameters used for the calculation of molecular geometries and energies. 

Electronic energy levels, bond dissociation energies, force constants of bonds, and interatomic distances... 

Equation [18] can be used to provide approximate values for the force constants of bonds (Table 3). 

Equations to calculate AGf from the force constants of bonds and AG from the static and tfte optical dielectric constants of the so vent and the size of the reactants are given in the literature (1,2). These parameters are, however, not well known in the transition state, and calculations of rate constants, using them, are therefore not very satisfactory. 

Both the bond length Bab and the force constant of bond stretching Aab are commonly regarded as measures of bond strength. A definition of bond order that employs those quantities,... 

---