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Christian George, Barbara D’Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann Emerging Areas in Atmospheric Photochemistry Lisa Whalley, Daniel Stone, Dwayne Heard New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll Volatility and Aging of Atmospheric Organic Aerosol P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization V. Faye McNeill, Neha Sareen, Allison N. Schwier Surface-Active Organics in Atmospheric Aerosols.

Physicochemistry --- Organic reaction mechanisms and kinetics --- Chemistry --- Geophysics --- Meteorology. Climatology --- thermodynamica --- chemie --- geofysica --- kogellagers --- fysicochemie --- atmosfeer

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Jonelle Harvey’s thesis outlines two related experimental techniques which are utilised to investigate small halogenated molecules: threshold photoelectron spectroscopy and threshold photoelectron photoion coincidence techniques. All the experiments were conducted at the vacuum ultraviolet beamline of the Swiss Light Source, which is a synchrotron photon source offering easy tunability. In this thesis, three studies are presented which combine experimental and computational ab initio approaches. The first study involves the fast dissociation of halogenated methanes in order to construct a self-consistent thermochemical network. The second study investigates the fragmentations of fluoroethenes from timebombs, which break apart very slowly but explosively, to fast dissociators. The third study uncovers how vital conical interactions underpin both the results of photoelectron spectra and dissociation patterns.The details included in this work are useful for researchers in the same field as well as those readers wishing to obtain a solid introduction into the types of systems encountered in threshold photoelectron photoion coincidence spectroscopy.

Physicochemistry --- Chemical structure --- Organic reaction mechanisms and kinetics --- Chemistry --- Computer. Automation --- spectra (chemie) --- moleculaire structuur --- thermodynamica --- chemie --- informatica --- kogellagers --- fysicochemie

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Amit Agarwal’s thesis reports a substantial contribution to the microscopic simulation of radiation chemical reactions. In his research Agarwal extends existing models to further understand scavenging, spin and relaxation effects. This research has advanced the development of both the Monte Carlo Random Flights and the Independent Reaction Times (IRT) simulation tools. Particular highlights are the extension of these tools to include both the spin-exchange interaction and spin relaxation, both of which are influential in radiolytic systems where many reactions are spin-controlled. In addition, the study has led to the discovery of a novel correlation of the scavenging rate with the recombination time in low permittivity solvents. This finding goes against existing assumptions underlying the theory of diffusion kinetics while still being accommodated in the IRT method which demonstrates the power of this unconventional approach. The work in this thesis can be applied to a wide number of fields including the nuclear industry, medicine, food treatment, polymer curing, the preparation of nano-colloids, power generation and waste disposal.

Physicochemistry --- Nuclear chemistry --- Organic reaction mechanisms and kinetics --- Chemistry --- Computer. Automation --- thermodynamica --- stralingschemie --- chemie --- informatica --- polymeren --- kogellagers --- fysicochemie --- oplosmiddelen

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After his first book on the topic "Specific Intermolecular Interactions of Organic Compounds", Baev extends in this book the development of the thermodynamic theory of specific intermolecular interactions to a wider spectrum of nitrogenated and bioorganic compounds: amino alcohols, amino acids, peptides and urea derivatives. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of pentacoordinated carbon atoms. New types of hydrogen bonds and specific interactions are substantiated and on the basis of the developed methodology their energies are determined. The new concept of the extra stabilizing effect of isomeric methyl groups on the structure and stability of nitrogenated organic molecules and bioorganic compounds is introduced and the destabilization action on specific interactions is outlined.

Physicochemistry --- Organic reaction mechanisms and kinetics --- Organic chemistry --- Chemistry --- Computer. Automation --- thermodynamica --- organische chemie --- chemie --- informatica --- kogellagers --- fysicochemie --- aminozuren

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Kinetic studies have traditionally being extremely useful in characterizing several physical and chemical phenomena in organic, inorganic and metallic systems. It provides valuable qualitative, quantitative and kinetic information on phase transformations, solid state precipitation, crystallization, oxidation and decomposition. Unfortunately, no single reference comprehensively presents nonisothermal kinetic analysis method for the study of complex processes, determining the actual mechanism and kinetic parameters. This book provides a new method for nonisothermal kinetics and its application in heterogeneous solid state processes. In the backdrop of limitations in existing methods, the book presents a brief review of the widely used isothermal and nonisothermal kinetic analysis methods.

Physics --- Surface chemistry --- Physicochemistry --- Organic reaction mechanisms and kinetics --- Materials sciences --- Electrical engineering --- thermodynamica --- materiaalkennis --- oppervlakte-onderzoek --- nanotechniek --- kogellagers --- fysicochemie