Equilibrium potential energy

The equilibrium interatomic distance Rq is assumed to be known, in addition to the compressibility k and the molar volume Tq. Actually, only a limited number of reliable values for k are known, but regularities in Vq/k allow reasonable estimates to be made in other cases. When Z is 2 or 3 small errors in these estimates can lead to large errors in the equilibrium potential energy Uq. 

When di k) are negative, the values of t/ham, are also negative, contrary to the minimum energy in the equilibrium potential energy. For real numbers of co,(k), we only take the positive values of the potential energy. 

FIGURE 7.7 Potential energy curves for selected states of the H2 molecule. Energies are measured relative to the ground state equilibrium potential energy. 

C -C bond, 8 degrees of freedom are purely kinetic (3 translations, 3 rotations and 2 internal rotations) and 31 degrees of freedom are vibrational. Therefore, alanine has, by classical theory, an energy of (4 + 31) kT per molecule in the gas phase due to translations, rotations and vibrations, namely over and above its equilibrium potential energy V (r ). According to classical sta-... 

If the dissociating molecule is in a gas diermostat, its mean equilibrium potential energy 2 Uq)q is Mlk Tand Eq. (15) simply gives the Arrhenius equation ... 

Two different measures for the effective rise of the mean equilibrium potential energy (f/o)e toward kg 772 will be examined. The correction parameter a is introduced by the equation ... 

This parameter is convenient for estimation of the changes in the temperature dependence of the rate constant for dissociation since the equilibrium potential energy of the adsorbed molecule does not depend linearly on the temperature. Another useful parameter is the effective temperature of the vibrating bond defined by... 

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