Problem

Use Spartan, CACHE, Cerius2, Gaussian, or some other chemical computational software packa...

Use Spartan, CACHE, Cerius2, Gaussian, or some other chemical computational software package to calculate the heats of formation of the reactants, products, and transition state and the activation barrier, EB, for the following reactions:

(a) CH3OH + O→CH3O + OH

(b) CH3Br + OH→ CH3OH + Br

(c) Cl + H2→ HCl + H

(d) Br + CH4→ HBr + CH3

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Solutions For Problems in Chapter 3