Structure and thermochemistry of hydrochlorous acid, HOCl

Francisco, J. S.; Sander, S. P.
October 1993
Journal of Chemical Physics;10/15/1993, Vol. 99 Issue 8, p6219
Academic Journal
The structure and heat of formation for hydrochlorous acid (HOCl) has been examined using post-Hartree methods which include second-order Mo\ller–Plesset theory perturbation and quadratic configuration interaction theory. The heat formation of HOCl is theoretically estimated to be -19.9±1 kcal mol-1 and compared well with the experimental determinations.


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