Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations
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This thesis is devoted to the study of the optical properties of small metal clusters and metal cluster organic compounds. For this purpose a ultra-high vacuum (UHV) experimental apparatus has been built which allows for the deposition of mass selected neu ...
Linear and nonlinear spectroscopy techniques are widely used to study numerous important chemical and physical processes. However, the interpretation of these experimental spectra often becomes very complicated because a particular spectrum constitutes a m ...
EPFL2015
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Vibrational spectroscopy is a fundamental tool to investigate local atomic arrangements and the effect of the environment, provided that the spectral features can be correctly assigned. This can be challenging in experiments and simulations when double pea ...
The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the co ...
Mixed alloy MoxW(1-x)S2 (0x1) bulk samples are characterized by low wavenumber Raman spectroscopy. The results provide a convenient and reliable means for systematically determining the sample Mo/W composition. The absence of disorder effects in its interl ...
A detailed computational characterization of the one-photon absorption spectrum of a 2-((E)-2-[ 2,2']-bithiophenyl-5-yl-vinyl)-1-methyl-quinolinium cation in acetonitrile solution is presented. The main physico-chemical effects (solvation, vibronic progres ...
Royal Soc Chemistry2017
Plasma wind tunnel experiments have been performed simulating a Hayabusa reentry trajectory point at 78.8km altitude with a velocity of 11.7km/s corresponding to a local mass-specific enthalpy of 68.4MJ/kg and a stagnation pressure of 2.44kPa. Ablation-rad ...
American Institute of Aeronautics and Astronautics2017
A detailed knowledge of the structures of the catalytic steps along the Kok-Joliot cycle of Photosystem II may help to understand the strategies adopted by this unique enzyme to achieve water oxidation. Vibrational spectroscopy has probed in the last decad ...
Proteins and even small peptides play crucial role in almost any biological. Biological activity and functionality of these building blocks of life are determined not only by their primary structure, but also by their 3D orientation â secondary, tertiary ...
EPFL2017
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This paper presents a Particle-In-Cell Monte Carlo Collision simulation of the Radio-Frequency (RF) plasma heating in the Linac4 H- ion source at CERN. The model self-consistently takes into account the electromagnetic field generated by the RF coil, the e ...
