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Physical Sciences and Mathematics Commons™
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Full-Text Articles in Physical Sciences and Mathematics
Environmental Analysis And White Cell Applications Ftir Spectroscopy, Maria Gabriela Oliveros
Environmental Analysis And White Cell Applications Ftir Spectroscopy, Maria Gabriela Oliveros
Masters Theses
The research is concerned with atmospheric chemistry & physics, and analyzing the environment with respect to the quantity of molecules is in the air we breathe. Fourier Transform Infrared Spectroscopy is used to identify the IR active molecules in our atmosphere. FTIR Spectrometer determines the intensity loss for molecules that have absorbed IR light. The FTIR spectroscopy is performed using the light from the sun or a carbon rod light source in the lab. A Sun-tracking device was employed to direct the sunlight into the spectrometer. Open-path measurements were made using multiple mirror reflections of the carbon rod light source …
Direct Observation Of H2 Binding To A Metal Oxide Surface, J. Z. Larese, T. Arnold, L. Frazier, R. J. Hinde, A. J. Ramirez-Cuesta
Direct Observation Of H2 Binding To A Metal Oxide Surface, J. Z. Larese, T. Arnold, L. Frazier, R. J. Hinde, A. J. Ramirez-Cuesta
Chemistry Publications and Other Works
Inelastic neutron scattering is used to probe the dynamical response of H2 films adsorbed on MgO(100) as a function of film thickness. Concomitant diffraction measurements and a reduced-dimensionality quantum dynamical model provide insight into the molecule-surface interaction potential. At monolayer thickness, the rotational motion is strongly influenced by the surface, so that the molecules behave like quasiplanar rotors. These findings have a direct impact on understanding how molecular hydrogen binds to the surface of materials used in catalytic and storage applications.
A Six-Dimensional H2–H2 Potential Energy Surface For Bound State Spectroscopy, Robert Hinde
A Six-Dimensional H2–H2 Potential Energy Surface For Bound State Spectroscopy, Robert Hinde
Chemistry Publications and Other Works
We present a six-dimensional potential energy surface for the (H2)2 dimer based on coupled-cluster electronic structure calculations employing large atom-centered Gaussian basis sets and a small set of midbond functions at the dimer’s center of mass. The surface is intended to describe accurately the bound and quasibound states of the dimers (H2)2, (D2)2, and H2–D2 that correlate with H2 or D2 monomers in the rovibrational levels (v, j) =(0,0), (0,2), (1,0), and (1,2). We employ a close-coupled approach to compute the …