Sökning: "Aromatic"

Visar resultat 6 - 10 av 491 avhandlingar innehållade ordet Aromatic.

  1. 6. Protein unfolding by interfaces and interactions between polycyclic aromatic hydrocarbons

    Författare :Svetla Chakarova Käck; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; first-principles calculations; PAH; denaturation; protein-interface interactions; van der Waals interactions; lattice models; polycyclic aromatic hydrocarbons; DFT; density functional theory;

    Sammanfattning : In order to theoretically study large and complex systems, a variety of approaches that can be categorized loosely as top-down or bottom-up are followed. While our vision is to bridge the gap between these approaches and use them together in multiscale materials modeling, the present thesis is limited to give examples of each type of approach in the study of soft-matter systems. LÄS MER

  3. 7. Electric breakdown strength of aromatic polymers

    Författare :Peter Bjellheim; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Sammanfattning : .... LÄS MER

  4. 8. High resolution valence photoelectron spectroscopy : investigations of linear and aromatic molecules

    Författare :Carl Nohre; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP;

    Sammanfattning : .... LÄS MER

  5. 9. Theoretical Studies on Vibrationally Resolved Optical Spectra of Polycyclic Aromatic Molecules

    Författare :Junfeng Li; Yi Luo; Antonio Rizzo; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical study; optical spectra; vibronic effect; polycyclic aromatic molecules; Theoretical Chemistry and Biology; Teoretisk kemi och biologi;

    Sammanfattning : Polycyclic aromatic molecules are of great interest owing to their many important applications in chemistry and have therefore been the focus of investigations for over half a century with spectroscopic techniques. This thesis is devoted to the modeling of vibrationally resolved optical spectra of polycyclic aromatic molecules. LÄS MER

  7. 10. Computer-Assisted Organic Synthesis. Addition to Carbonyl Carbons and Aromatic Substitution

    Författare :Ingvar Lagerstedt; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; CAOS; torsional strain; selectivity; aromatic substitution reaction;

    Sammanfattning : This thesis concerns the computer-assisted modelling of additions to ketones and aromatic substitution, and how this modelling can be used within an existing program for synthesis planning. I include a review of existing computer-assisted organic synthesis (CAOS) programs, and discuss how some of these programs deal with knowledge representation. LÄS MER