Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 9 of 9 for “"proton transfer reactions"”.
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Resonance Two Photon Ionization Study of Binary Clusters of Styrene with Polar Molecules
… of styrene. Size-specified intracluster proton transfer reactions were observed for mixed clusters of styrene dimer with water, methanol and ethanol molecules. It was proposed that the polar molecules tend to aggregate around the olefin center, which promotes the transfer of the charge …
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Theoretical study of the cytochrome bc1 complex reaction mechanism
… described. Furthermore, the initial charge transfer reactions that take place following quinol binding, lack a physical description. The present dissertation presents a comprehensive study of the primary reaction mechanism of the bc1 complex from the photosynthetic purple bacterium …
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A trajectory-based approach to modeling nonlinear infrared spectra : interrogating strong hydrogen bonds and proton transfer
… liquid water, strong hydrogen bonds, and proton transfer reactions using ab initio calculations, model potentials, and molecular dynamics. Dynamical information is bestowed upon these trajectories through either a Langevin-like Brownian oscillator model for the bath, full molecular …
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Proton Transfer Networks and the Mechanism of Long Range Proton Transfer in Proteins
… the respiratory chain, are based on long range proton transfer (LRPT) reactions. Even since these LRPT reactions have been heavily investigated in the last decades, the mechanism of these reactions is still not completely understood. The reaction kinetics of the LRPT are under heavy discussion …
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SOLVATION OF ORGANIC CATIONS IN THE GAS PHASE AND WITHIN MOLECULAR CLUSTERS
… is the appropriate medium to study such reactions on a molecular level where the ion-solvent interaction can be examined by studying ions surrounded with a cluster of solvent molecules in the complete absence of the any interference caused by the bulk of the solvent. In nature, organic …
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Deconvoluting the Engineering and Assembly Instructions for Complex Iii Activity
… the bioenergetic formation of a transmembrane proton gradient (∆μH+). Complex III turnover is initiated by a unique two electron oxidation of ubiquinone at the Qo site; one electron is delivered to a high potential chain containing an iron-sulfur cluster, cytochrome c1 and cytochrome c2, and a …
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Experimental and theoretical investigations of molecular ions by spectroscopy as well as ion mobility and mass spectrometry
… band of rhodamine 6G ions of during the transfer from the electrospray droplets to the gas phase. A newly developed ionization chamber operating at reduced pressure (0.5 mbar) was coupled to a time-of-flight mass spectrometer. After REMPI of H2S, an ionization chemistry analogous to H2O …
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Exploring chemical reaction complexity : application to hydrogen combustion
… to identify major sequential elementary reactions connecting reactants to products. In Chapter 1 we explain the problem exists in understanding complex chemistry followed by a brief overview of currently popular methods used to study complex chemical processes with an emphasis on hydrogen …
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Shock compressing liquids on a tabletop microscope, with special focus on detonating nitromethane
… is hypothesized to occur via an intermolecular proton transfer reaction. This reaction can be catalyzed by reducing the energy barrier of proton transfer, with the addition of basic molecules like ethylenediamine (EDA). Prior to ignition, the mixture, 1 wt.% EDA in NM, absorbs twice as much of …