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We report on a first-principles investigation of the structural and vibrational properties of vitreous germania (v-GeO2). Our work focuses on a periodic model structure of 168 atoms, but three smaller models are also studied for comparison. We first carry ...
Absorption spectra of silane in the region of the first overtone of the Si-H stretch vibration have been recorded in a seeded supersonic jet expansion by cavity ring-down spectroscopy as well as in a static gas cell at room temperature by photoacoustic spe ...
Disordered oxides, such as vitreous silica (v-SiO2) and vitreous germania, (v-GeO2) and chalcogenide glasses, such as vitreous germanium diselenide (v-GeSe2) are currently key materials in many technological fields, ranging from Si-based microelectronic to ...
We describe the use of stimulated Raman pumping in a molecular beam to perform quantum state resolved gas-surface reactivity measurements for molecules prepared in totally symmetric vibrational states. Vibrational states of homonuclear diatomics as well as ...
We present here the analysis of experimental Stark effect measurements made using photofragment quantum beat spectroscopy on the 14,0->, 15,0->, 18,0+> and 14,0-> 12 > vibrational states of H2O [Callegari, A.; et al. Science 2002, 297, 993.]. To link the m ...
Rotationally resolved microwave and ultraviolet spectra of jet-cooled diphenylmethane (DPM) and DPM-d(12) have been obtained in S-0, S-1, and S-2 electronic states using Fourier-transform microwave and UV laser/molecular beam spectrometers. The S-0 and S-1 ...
In this work, the state-resolved reactivity of methane excited to different C-H stretch vibrations have been measured on a Ni(100) surface. Two kinds of experiments have been performed. In the first series of experiments, we have measured the reactivity of ...
Using the Submillimeter Array we have detected the J = 3-2 and 2-1 rotational transitions from within the first vibrationally excited state of CO toward the extreme carbon star IRC+10216 (CW Leo). The emission remains spatially unresolved with an angular r ...
We report here a measurement of electric dipole moments in highly vibrationally excited HDO molecules. We use photofragment yield detected quantum beat spectroscopy to determine electric field induced splittings of the J=1 rotational levels of HDO excited ...
Spectra of jet-cooled methanol in the overtone and combination region from 5000 to, 14000 cm(-1) have been obtained by means of infrared laser-assisted photofragment spectroscopy. Many of the observed features are assigned to combination bands of the type ...
