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The existing uncertainties concerning the beta band of NO as well as to test the adequacy of the molecular quantum defect orbital (MQDO) procedure to describe the vibronic levels of a valence state that is subject to the interaction with Rydberg state (3ppi(C(sub 2)pi)--B(super 2)pi) or of the Rydberg--valence state of NO is studied. The high ratio between the quality of results and the computational effort of this procedure is undoubtedly linked to its analyticity.

Rotationally resolved vibrational spectra are reported for a total of 15 hydrogen-HF clusters formed in helium nanodroplets, each with a different size (up to 6 hydrogens), or isotopic (H(sub 2)/D(sub 2) or ortho/para composition. Symmetry breaking in the mixed ortho/para complexes gives rise to both parallel and perpendicular transitions in the (H(sub 2))(sub)n-HF complexes, where as only parallel transitions are observed in the spectra of the mixed ortho/para (D(sub 2))(sub)n-HF complexes.

The photoionization of nitric oxide from its ground state is studied with the molecular-adapted quantum defect orbital (MQDO) method. Partial differential oscillator strengths for the different Rydberg series that constitute the ionization channels of NO from its ground are calculated up to photon energy of 60eV.

Absorption oscillator strengths for the various bands of NO2, which are relevant to the study of atmospheric processes, are presented. The findings appear to be in good accord with the available experimental values and with some exceptions, conform fairly well with theoretical data derived from rather more sophisticated methods.

A coupled-cluster theoretical approach is employed to determine the vertical excitation energies of different, low-lying Rydberg states of hydrogen chloride (HCl). The electronic state properties of HCl are highly influenced by the process of vibrational stretching.