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Studies the photodissociation detection of microwave transitions in highly excited vibrational states. Dipole moment measurement in the vibrational state provided by the Stark effect; Dissociation threshold of the ground electronic state.

Examines the largest angle generalization of the rotating bond order potential (LAGROBO) functional representation of potential energy. Connection of atom-diatom arrangements from the reactive processes; Extension of the LAGROBO system for electronically excited atom; Use of LAGROBO potential for lithium, fluorine and hydrogen reaction.

The potential energy surface of the O([SUP1]D)+HCl reaction has been calculated at an ab initio level. The calculated values have been fitted using a bond-order polynomial. On this potential energy surface quasiclassical trajectory calculations have been performed. These calculations reproduce most of the available experimental information better than the other existing potential energy surfaces. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]