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Structure and thermochemistry of hydrochlorous acid, HOCl (1993)

Francisco, J. S. ; Sander, S. P.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 99 (1993), S. 6219-6220

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The structure and heat of formation for hydrochlorous acid (HOCl) has been examined using post-Hartree methods which include second-order Møller–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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.465885

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