Vibrational and rotational frequency shifts of dilute molecular hydrogen, molecular deuterium, and hydrogen deuteride impurities in solid argon, krypton, and xenon under pressure
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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 ...
We introduce mixed Wannier-Bloch functions for studying electronic and vibrational spectra of periodic systems. These functions carry both spatial localization and limited spectral broadening, thereby combining the advantages of descriptions based on energ ...
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 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 ...
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 ...
A 2D phase-field model has been developed in order to describe the morphology of a pore forming within interdendritic liquid channels and the geometrical effect of mechanical contacts with neighboring solid. The distribution of the solid, liquid and gas ph ...
A 2D phase-field model has been developed in order to describe the morphology of a pore forming within interdendritic liquid channels and the geometrical effect of mechanical contacts with neighboring solid. The distribution of the solid, liquid and gas ph ...
In this thesis, steric effects in the dissociative chemisorption of quantum state-prepared methane on single crystal surfaces of nickel (Ni(100) and Ni(110)) are detected and quantified for the first time. Exploiting a new, continuous-wave, high-power, sin ...
Newly available, powerful infrared laser sources enable the preparation of intense molecular beams of quantum-state prepared and aligned molecules for gas/surface reaction dynamics experiments. We present a stereodynamics study of the chemisorption of vibr ...
We use triple resonance vibration overtone spectroscopy to characterize quantum states of water with up to 19 quanta of stretching vibration – the last stretching state below dissociation. State-selectivity, offered by the triple resonance in conjunction w ...