Search for dissertations about: "Franck-Condon analysis"

Found 4 swedish dissertations containing the words Franck-Condon analysis.

  2. 1. Calculated Potential Energy Surfaces and Vibrational Analysis

    Author : Niclas Forsberg; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Benzene; HCO; NEMO; Imaginary Level Shift; Double Harmonic Approximation; Potential Energy Surface; CASPT2; Franck-Condon Factors; CASSCF; p-Benzosemiquinone; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

    Abstract : The focus of this thesis is on the calculation of potential energy surfaces and on the study of vibrational properties. For example: - We have developed a new method for calculation of Franck-Condon factors. - We have calculated full energy surfaces of the ground (X2A’) the excited (B2A’) states of the formyl radical. READ MORE

  4. 2. Laser-Based Combustion and Trace-element Analysis

    Author : Yvonne Malmsten; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; laser-induced fluorescence; graphite furnace; trace element analysis; LEI; laser-enhanced ionisation; LIF; meta-stable; flow-tagging; NO; OH; counter-flow diffusion flame;

    Abstract : Laser spectroscopy has been utilised as a tool for combustion diagnostics and sensitive trace-element analysis. In the field of combustion analysis, a characterisation of a CH4/N2 - O2/N2 counter-flow diffusion flame has been performed using Laser-Induced Fluorescence (LIF). READ MORE

  5. 3. Quantum Nuclear Dynamics in Resonant X-ray Scattering of Gas-Phase and Liquid Systems

    Author : Vinicius Vaz da Cruz; Victor Kimberg; Faris Gel'mukhanov; Hans Ågren; Philippe Wernet; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; resonant inelastic X-ray scattering; X-ray absorption; water; methanol; CO; rotational doppler effect; recoil; wave packet; non-Franck-Condon effect; ultra-fast molecular dissociation; potential energy surface; hydrogen bond; liquid; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Abstract : This thesis focuses on the role of the nuclear degrees of freedom in X-ray induced molecular processes. An important part of it is devoted to establishing theoretical principles to model and interpret high-resolution resonant X-ray scattering experiments in gases and liquids. READ MORE

  6. 4. Effects of Energetic Disorder on the Optoelectronic Properties of Organic Solar Cells

    Author : Nikolaos Felekidis; Martijn Kemerink; Olle Inganäs; Carsten Deibel; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : Organic photovoltaics (OPVs) is a promising low-cost and environmental-friendly technology currently achieving 12-14% power conversion efficiency. Despite the extensive focus of the research community over the last years, critical mechanisms defining the performance of OPVs are still topics of debate. READ MORE