entropy (S): meaning?
Dear cclers,
In the frequency calculation of G98, it gives thermal enthalpies (H),
thermal free energies(G) and entropies (S) as well. For reaction
A+B-->C the enthalpy change of the reaction dH=H(c)-H(A)-H(B)=dH° at
T=298K. If dG=dH+T(dS)=dG° we can calculate rate constant for the
reaction. My question is:
1. Does (delta)S=(delta)S° ? Why?
2. What is the physical meaning of S given in g98 frequency
calculation?
3. Does the calculation of S include the all motion states of a
molecule ? What is included and what is not?
4. Is there a way to calculate dG° using g98 ?
I would appreciate your time and replies. And I'll
summarize.
Thank you very much.
Jackie
Kinetics, Inc.
Lowell, MA
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