Search for dissertations about: "pyrazine"

Showing result 1 - 5 of 6 swedish dissertations containing the word pyrazine.

  1. 1. Multiconfigurational perturbation theory

    University dissertation from Lund

    Author : Kerstin Andersson; Karlstads universitet.; Karlstads universitet.; [1992]
    Keywords : Electron correlation; CASSCF; multiconfigurational second-order perturbation theory; CASPT2; ozone; C; N; O; F; Si; P; S; Cl; Ni; benzene; pyridine; pyrazine; pyrimidine; pyridazine; s-triazine; electric properties; excited states; spectroscopic data;

    Abstract : The aim of the thesis is to analyze a method which describes the electron correlation in atoms and molecules. The method is based on Rayleigh-Schrödinger perturbation theory with a partitioning of the Hamiltonian into a fairly simple zeroth-order operator and a perturbation operator. READ MORE

  2. 2. Reaction Between Grignard reagents and Heterocyclic N-oxides Synthesis of Substituted Pyridines, Piperidines and Piperazines

    University dissertation from Umeå : Umeå universitet

    Author : Hans Andersson; Umeå universitet.; [2009]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Grignard reagents; pyridine N-oxide; pyrazine N-oxide; dienal-oxime; pyridine; ortho- metalation; piperidine; piperazine; asymmetric; NATURAL SCIENCES Chemistry Organic chemistry Organic synthesis; NATURVETENSKAP Kemi Organisk kemi Organisk syntes; organisk kemi; Organic Chemistry;

    Abstract : This thesis describes the development of new synthetic methodologies for preparation of bioactive interesting compounds, e.g. substituted pyridines, piperidines or piparazines. Thesecompounds are synthesized from commercially available, cheap and easily prepared reagents, videlicet the reaction between Grignard reagents and heterocyclic N-oxides. READ MORE

  3. 3. Synchrotron radiation studies of gas phase molecules from hydrogen to DNA sugars

    University dissertation from Stockholm : KTH

    Author : Gemma Vall-llosera; KTH.; [2008]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURAL SCIENCES Physics Atomic and molecular physics; NATURVETENSKAP Fysik Atom- och molekylfysik; KTH thesis; synchrotron radiation; gas phase; bio molecules;

    Abstract : This thesis summarises experimental results on the molecular spectroscopy of gas phase molecules excited by synchrotron radiation in the VUV and soft X-ray regions. We have used three different detection techniques, photon induced fluorescence spectroscopy, photoionisation mass spectroscopy and near edge X-ray absorption fine structure spectroscopy to study molecular deuterium, hydrogen sulphide, ammonia, methanol, pyridine, pyridazine, pyrimidine, pyrazine, s-triazine, and 2-deoxy-D-ribose, the last one also known as the DNA sugar. READ MORE

  4. 4. Stability of Bulk-heterojunction blends for Solar Cell Applications

    University dissertation from Stockholm : KTH

    Author : Camilla Lindqvist; [2014]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; nanostructure; PCBM crystallisation; bulk-heterojunction; Polymer solar cells; stability;

    Abstract : Polymer solar cells are a promising alternative to more traditional silicon solar cells. This is mainly due to the good solubility of organic semiconductors, which makes it possible to produce large-scale and mechanically flexible devices with roll-to-roll processes. READ MORE

  5. 5. First Principles Studies of Carbon Based Molecular Materials

    University dissertation from Stockholm : KTH

    Author : Bin Gao; KTH.; [2008]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; first principles simulations; carbon based molecular materials; X-ray spectroscopies; NATURAL SCIENCES Chemistry Theoretical chemistry; NATURVETENSKAP Kemi Teoretisk kemi;

    Abstract : The aim of this thesis was to investigate carbon based molecular materials at first principles levels. Special attention has been paid to simulations of X-ray spectroscopies, including near edge X-ray absorption fine structure (NEXAFS), X-ray photoelectron, and X-ray emission spectroscopy, which can provide detailed information about core, occupied and unoccupied molecular orbitals of the systems under investigation. READ MORE