State-specific neutral time-of-flight of CO from ketene photodissociation at 351 nm: The internal energy distribution of CH2 X3B1
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State-to-state molecule/surface scattering experiments prepare the incident molecules in a specific quantum state and measure the quantum state distribution of the scattered molecules. The comparison of state resolved experiments with theory can serve as s ...
I present a molecular beam study of methane dissociation on differ-ent surface sites of several platinum single crystal surfaces (Pt(111), Pt(211), Pt(210), Pt(110)-(2x1)). The experiments were performed in a molecular beam/surface-science apparatus that c ...
Atomistic simulations are a bottom up approach that predict properties
of materials by modelling the quantum mechanical behaviour of all electrons
and nuclei present in a system. These simulations, however, routinely assume
nuclei to be classical particles ...
This thesis presents a quantum-state-resolved molecular beam study of the non-reactive scattering of methane (CH4) from a Ni(111) surface. It is one of the first experimental investigations in which the internal quantum state distribution of a polyatomic m ...
In this thesis, I describe the design and implementation of the first state-to-state surface scattering experiments for methane from clean single crystalline surfaces in ultrahigh vacuum. The experiments use infrared laser pumping to prepare the incident C ...
We report zero-coverage reaction probabilities (S-0) for HCl dissociative adsorption on Au(111) obtained by the seeded molecular beam hot-nozzle method. For measurements at normal incidence with mean translational energies ranging from 0.94 to 2.56 eV (noz ...
The flying ice cube effect is a molecular dynamics simulation artifact in which the use of velocity rescaling thermostats sometimes causes violation of the equipartition theorem, affecting both structural and dynamic properties. The reason for this artifac ...
We investigate continuous axial rotation as a mechanism for extending the reach of an elastic rod injected into a horizontal cylindrical constraint, prior to the onset of helical buckling. Our approach focuses on the development of precision desktop experi ...
We have investigated the infrared spectra of the quarter-filled charge-ordered insulators delta-(EDT-TTF-CONMe2)(2)X (X=AsF6, Br) along all three crystallographic directions in the temperature range from 300 to 10 K. DFT-assisted normal mode analysis of th ...
A mechanical model is presented for predicting the momentrotation relationship of interior slab-column connections without transverse reinforcement when subjected to seismically induced drifts. The model accounts explicitly for the three load-transfer acti ...