Search Results - Yönder, Özlem

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  1. 1
    Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H‑Abstraction Reaction by an H‑Atom from Polyaromatics

    Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H‑Abstraction Reaction by an H‑Atom from Polyaromatics by Yönder, Özlem, Schmitz, Gunnar, Hättig, Christof, Schmid, Rochus, Debiagi, Paulo, Hasse, Christian, Locaspi, Andrea, Faravelli, Tiziano

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  2. 2
    Terahertz VRT Spectroscopy of the Water Hexamer-h12 Cage: Dramatic Libration-Induced Enhancement of Hydrogen Bond Tunneling Dynamics

    Terahertz VRT Spectroscopy of the Water Hexamer-h12 Cage: Dramatic Libration-Induced Enhancement of Hydrogen Bond Tunneling Dynamics by Cole, William T. S, Yönder, Özlem, Sheikh, Akber A, Fellers, Raymond S, Viant, Mark R, Saykally, Richard J, Farrell, James D, Wales, David J

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  3. 3
    A computational chemistry study on the evolution of oxygen functional groups during char burnout

    A computational chemistry study on the evolution of oxygen functional groups during char burnout by Yönder, Özlem, Schmitz, Gunnar, Schmid, Rochus, Schnieder, Bastian, Hättig, Christof

    Published in Fuel (Guildford)
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  4. 4
    An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants

    An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants by Schmitz, Gunnar, Yönder, Özlem, Schnieder, Bastian, Schmid, Rochus, Hättig, Christof

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  5. 5
    Density functional theory study of CO formation through reactions of polycyclic aromatic hydrocarbons with atomic oxygen (O(3P))

    Density functional theory study of CO formation through reactions of polycyclic aromatic hydrocarbons with atomic oxygen (O(3P)) by Yönder, Özlem, Hättig, Christof

    Published in Fuel (Guildford)
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  6. 6
    Adsorption and diffusion in oxyfuel combustion: Linking experiment and MD simulation through graphite structures as a first example

    Adsorption and diffusion in oxyfuel combustion: Linking experiment and MD simulation through graphite structures as a first example by Wedler, Carsten, Angenent, Vanessa, Yönder, Özlem, Hättig, Christof, Schmid, Rochus, Span, Roland, Richter, Markus

    Published in Diffusion fundamentals
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