Sökning: "Dissociation dynamics"

Visar resultat 16 - 20 av 81 avhandlingar innehållade orden Dissociation dynamics.

  1. 16. Theoretical Studies of Ground and Excited State Reactivity

    Författare :Pooria Farahani; Marcus Lundberg; Hans Karlsson; Isabelle Navizet; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemical Reactivity; Computational Chemistry; Dynamics; Ground and Excited States; Chemiluminescence; Atmospheric Chemistry;

    Sammanfattning : To exemplify how theoretical chemistry can be applied to understand ground and excited state reactivity, four different chemical reactions have been modeled. The ground state chemical reactions are the simplest models in chemistry. To begin, a route to break down halomethanes through reactions with ground state cyano radical has been selected. LÄS MER

  3. 17. Direct H2O2 synthesis over dilute PdAu alloys

    Författare :Rasmus Svensson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; kinetic Monte Carlo; H2O2 synthesis; metal-water interface; dynamics; kinetic modeling; dilute alloys; catalysis; density functional theory;

    Sammanfattning : Heterogeneous catalysis is crucial in a range of technological and industrial processes. Depending on the composition of the catalyst and the reaction conditions, it is possible to steer the activity and the selectivity towards the desired products. LÄS MER

  4. 18. Surface and Interface Studies of ZnO using Reactive Dynamics Simulation

    Författare :David Raymand; Kersti Hermansson; Daniel Spångberg; Kai Nordlund; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; catalysis; molecular dynamics; force-fields; metal oxide; ZnO; dynamical effects on reactivity; Inorganic chemistry; Oorganisk kemi; Kemi med inriktning mot oorganisk kemi; Chemistry with specialization in Inorganic Chemistry;

    Sammanfattning : About 90% of all chemicals are produced with the help of catalysts, substances with the ability to accelerate reactions without being consumed. Metal oxides play a prominent role in catalysis, since they are able to act reversibly in many chemical processes. Zink oxide (ZnO) is used to catalyse a number of industrially important reactions. LÄS MER

  5. 19. Ultrafast dynamics of small quantum systems studied using electron-ion coincidence spectroscopy

    Författare :Smita Ganguly; Synkrotronljusfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; coincidence spectroscopy; photodissociation dynamics; fragmentation reaction; MOLECULAR-BEAM; Cluster fission; Astrochemistry; Carbon dioxide CO2 ; ; Adamantane;

    Sammanfattning : Studying how small quantum systems, like molecules and clusters, interact with X-rays is crucial to understanding the ultrafast processes that occur in nature on incredibly short timescales, ranging from femtoseconds to picoseconds. X-rays excite small quantum systems to unstable core hole states, leading to a cascade of phenomena, including Auger decay, nuclear rearrangement, and dissociation. LÄS MER

  7. 20. Detecting the dynamics of single biomolecules

    Författare :Stefan Wennmalm; Karolinska Institutet; Karolinska Institutet; []
    Nyckelord :;

    Sammanfattning : This thesis is concerned with the detection of single biomolecules. Through detection of individual molecules it can be clarified whether a behavior which has been observed in a population is representative for all molecules. For detection confocal fluorescence microscopy was used, in particular Fluorescence Correlation Spectroscopy (FCS). LÄS MER