Studies of cold chemistry in crossed and merged neutral beams
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The state-resolved reaction probability of CH4 on Pt(110)-(1×2) was measured as a function of CH4 translational energy for four vibrational eigenstates comprising different amounts of C-H stretch and bend excitation. State-specific reactivity is observed b ...
Laboratory experiments play an important role in improving the modelling of rock avalanches since they contribute to a better understanding of the mechanisms that characterise propagation and to identifying parameters influencing velocity and deposit chara ...
Geometry and energy of the reactant (UO2(OH2)(5)center dot Cl+), the transition state (UO2(OH2)(5)center dot center dot center dot Cl+ double dagger), and the product (UO2Cl(OH2)(4)center dot OH2+) of the title reaction have been computed with complete act ...
In this thesis, I report state-resolved measurements of the chemisorption probability of CH4 on Pt(111) and Pt(110)-(1×2) for several rovibrationally excited states (2ν3, ν1+ν4, and 2ν2+ν4) in addition to the ground state. Measurements of the state resolve ...
We present here a computational study of reactions at a model complex of the SyrB2 enzyme active site. SyrB2, which chlorinates L-threonine in the syringomycin biosynthetic pathway, belongs to a recently discovered class of alpha-ketoglutarate (alpha KG), ...
The reaction mechanisms of ZrCl4 adsorption and dissociation on Ge/Si(100)-(2 x 1) surface as the initial stage of ZrO2 atomic layer deposition process are investigated with density functional theory (DFT). The Si-Si, Si-Ge and Ge-Ge one-dimer cluster mode ...
In this work, I present the results of my studies on the state-resolved reactivity of silane (SiH4) on the Si(100)-(2x1) surface. The results demonstrate a co-existence of both a direct and a precursor mediated mechanisms for the dissociative chemisorption ...
Light emission during the collision of ions and cluster ions on a metal surface covered by rare gas matrices of variable thickness is reported. The light intensity as a function of distance from the metal surface follows the classical image dipole theory. ...
The mechanism of reaction between NO and two models of carbonaceous materials with active sites was investigated at the UB3LYP/6-31 + G(d) and UM06-2X theory levels. The small model is the anthracene radical and the large one is also a monoradical built wi ...
The introduction of pump-probe techniques to the field of x-ray absorption spectroscopy (XAS) has allowed the monitoring of both structural and electronic dynamics of disordered systems in the condensed phase with unprecedented accuracy, both in time and i ...