Markus ramsperger dissertation

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Paul Blowers

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Paul Blowers | UA Profiles

Suche Suche starten. Der Suchbegriff muss mindestens Buchstaben lang sein. Dissertation, mehr… von der Esch, Elisabeth: The automation and validation of a morphological and chemical quantification procedure for microplastic fragments using Raman microspectroscopy. Dissertation, mehr…. Dissertation, mehr… Brendel, Sabrina Karolin: Aroma of alcohol-free beer and the influence of dry-hopping as a possibility to enhance consumers' acceptance.
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Einträge mit Jahr 2019

Several different mechanisms leading to the formation of substituted naphthalene and azanaphthalenes were examined using theoretical quantum chemical calculations. On Earth, these aromatic compounds originate from incomplete combustion and are released into our environment, where they are known to be major pollutants, often with carcinogenic properties. Following the construction of the PES, Rice-Ramsperger-Kassel-Markus RRKM theory was used to evaluate all unimolecular rate constants as a function of collision energy under single-collision conditions. Branching ratios were then evaluated by solving phenomenological rate expressions for the various product concentrations. The most viable pathways to PAH and N-PAC formation were found to be those where the initial attack by the ethynyl C 2 H or cyano CN radical toward a unsaturated hydrocarbon molecule led to the formation of an intermediate which could not effectively lose a hydrogen atom.
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Electronic structure theory calculations were combined with Rice—Ramsperger—Kassel—Markus theory to extrapolate the measured recombination rate coefficients to the temperature and pressure conditions of planetary upper atmospheres. If you are not the author of this article and you wish to reproduce material from it in a third party non-RSC publication you must formally request permission using Copyright Clearance Center. Go to our Instructions for using Copyright Clearance Center page for details.
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