Structure and thermochemistry of hydrochlorous acid, HOCl
- 15 October 1993
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 99 (8) , 6219-6220
- https://doi.org/10.1063/1.465885
Abstract
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.Keywords
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