Reaction transition states of halide-cluster complexes via velocity-map imaging of photoelectrons. This study will investigate the transition point between the reactants and products of a chemical reaction using a novel photoelectron imaging technique, velocity-map imaging. It is this region of chemical reactions that is the least understood. By combining the use of weakly bound negatively charged clusters and laser photodetachment of these clusters, information can be gleaned about these transi ....Reaction transition states of halide-cluster complexes via velocity-map imaging of photoelectrons. This study will investigate the transition point between the reactants and products of a chemical reaction using a novel photoelectron imaging technique, velocity-map imaging. It is this region of chemical reactions that is the least understood. By combining the use of weakly bound negatively charged clusters and laser photodetachment of these clusters, information can be gleaned about these transition states. The technique will be applied to an important class of halide-cluster complexes that form a set of prototypical reactions. These species also play important roles ranging from ozone depletion through to industrial chemistry.Read moreRead less
Imaging chemical reaction dynamics from the transition state to reaction products. Chemical reactions play a key role in many atmospheric, environmental and industrial processes. An understanding of reactions at the molecular level will lead to significant economic benefits, through more efficient reaction control, and through the identification of the key environmental factors which influence why particular reactions proceed. Our study of chemical reaction dynamics has been driven by technolo ....Imaging chemical reaction dynamics from the transition state to reaction products. Chemical reactions play a key role in many atmospheric, environmental and industrial processes. An understanding of reactions at the molecular level will lead to significant economic benefits, through more efficient reaction control, and through the identification of the key environmental factors which influence why particular reactions proceed. Our study of chemical reaction dynamics has been driven by technological advances which enable key stages of a reaction to be imaged and studied at the molecular level. Read moreRead less
Hydrogen Abstraction in Chemical, Biochemical and Polymerization Processes. Hydrogen-abstraction reactions are of vital importance in the chemical, biochemical and polymerization processes that occur in everyday life. The objective of the proposed research is to improve our understanding of such reactions. State-of-the-art quantum chemistry calculations will be used to examine a broad range of hydrogen-abstraction reactions, and to obtain accurate information about the factors that influence suc ....Hydrogen Abstraction in Chemical, Biochemical and Polymerization Processes. Hydrogen-abstraction reactions are of vital importance in the chemical, biochemical and polymerization processes that occur in everyday life. The objective of the proposed research is to improve our understanding of such reactions. State-of-the-art quantum chemistry calculations will be used to examine a broad range of hydrogen-abstraction reactions, and to obtain accurate information about the factors that influence such reactions. Building on this work, more detailed case studies will be performed in two important areas: the hydrogen-abstraction steps in biochemical reactions mediated by coenzyme B12, and chain-transfer processes in conventional and controlled free-radical polymerization.Read moreRead less
Unravelling mechanisms in plasma growth of polymers. Surface engineering broadens the breadth of applications for many materials, and enhances the performance and value of current and emerging technologies. Surface engineering is particularly important to maintaining the competitiveness of manufacturing in developed economies such as Australia, that can not compete on a cost basis with emerging economies. Plasma coating replaces (alternative) environmentally-questionable surface treatments. This ....Unravelling mechanisms in plasma growth of polymers. Surface engineering broadens the breadth of applications for many materials, and enhances the performance and value of current and emerging technologies. Surface engineering is particularly important to maintaining the competitiveness of manufacturing in developed economies such as Australia, that can not compete on a cost basis with emerging economies. Plasma coating replaces (alternative) environmentally-questionable surface treatments. This project enhances Australian competitiveness; it cuts across industrial sectors and will deliver the new knowledge required to enhance material/technology functionality/performance. A PhD student will receive a multi-disciplinary training in a frontier technology and advanced analytical tools.Read moreRead less
Intervalence Transfer in Dinuclear and Oligonuclear Polymetallic Assemblies. Mixed-valence compounds (such as the pigment Prussian Blue) have been known for over two centuries, and possess important conductivity, magnetic and spectral properties. Electron transfer between the elements of different valency (intervalence charge transfer, IVCT) gives rise to absorbances in the red or near-infrared region of the spectrum which provide fundamental information on the electron migration. By design of ....Intervalence Transfer in Dinuclear and Oligonuclear Polymetallic Assemblies. Mixed-valence compounds (such as the pigment Prussian Blue) have been known for over two centuries, and possess important conductivity, magnetic and spectral properties. Electron transfer between the elements of different valency (intervalence charge transfer, IVCT) gives rise to absorbances in the red or near-infrared region of the spectrum which provide fundamental information on the electron migration. By design of target di- and higher nuclearity polymetallic species, the project will study IVCT phenomena to understand electron movement, allowing rational development of applicable materials such as catalysts, light-activated devices and non-linear optical materials.Read moreRead less
The effect of competition and doctor heterogeneity on prices charged by doctors. Prices charged by doctors can have important effects on health care costs, access to health care and health status. This research will examine the determinants of prices charged by doctors. The results will be important in understanding the pricing practices of doctors and their impact on health care costs.
Structures and Properties of beta-R3M (M = Si, Ge, Sn)- and beta-Chalcogenyl-substituted Carbenium Ions. The benefits of this work are many-fold. The scientific knowledge gained will be invaluable to all scientists working in organic chemistry; mechanistic chemists who will learn from the science, and synthetic organic chemists who can utilise the results when planning strategies for the synthesis of complex drugs. Another major benefit of this research is in the training of young scientists. Th ....Structures and Properties of beta-R3M (M = Si, Ge, Sn)- and beta-Chalcogenyl-substituted Carbenium Ions. The benefits of this work are many-fold. The scientific knowledge gained will be invaluable to all scientists working in organic chemistry; mechanistic chemists who will learn from the science, and synthetic organic chemists who can utilise the results when planning strategies for the synthesis of complex drugs. Another major benefit of this research is in the training of young scientists. The students who work on this proposal gain invaluable experience in many areas of chemistry, ranging from synthetic chemistry to structural chemistry and theoretical chemistry. They will also gain experience in important physical techniques from NMR spectroscopy to X-ray crystallography.Read moreRead less
Nucleophilic carbenes as organocatalysts for asymmetric synthesis. Chemical compounds which come in two chiral mirror images (enantiomers) can have very different biological function. Often one form can have beneficial effects while the other can cause great harm (such as birth defects in the case of thalidomide). It is therefore very important for the drug industry to have asymmetric chemical reactions that lead specifically to only one enantiomer. The asymmetric reactions in this project ha ....Nucleophilic carbenes as organocatalysts for asymmetric synthesis. Chemical compounds which come in two chiral mirror images (enantiomers) can have very different biological function. Often one form can have beneficial effects while the other can cause great harm (such as birth defects in the case of thalidomide). It is therefore very important for the drug industry to have asymmetric chemical reactions that lead specifically to only one enantiomer. The asymmetric reactions in this project have been used previously to synthesise the anti-cancer metabolite roseophilin. The results of this project will ensure that there are many more similar success stories in the pharmaceutical and biotechnology industries.Read moreRead less
A New Approach to Information-Based Securities Trading. This project develops and tests a new approach to information-based securities trading, which can effectively describe trading dynamics and accurately measure the effects of information impounded in price and trading activities. It aims to provide a novel and practical framework for studying information asymmetry, belief heterogeneity and asset pricing, and apply the new approach to address a series of financial issues. The project will mak ....A New Approach to Information-Based Securities Trading. This project develops and tests a new approach to information-based securities trading, which can effectively describe trading dynamics and accurately measure the effects of information impounded in price and trading activities. It aims to provide a novel and practical framework for studying information asymmetry, belief heterogeneity and asset pricing, and apply the new approach to address a series of financial issues. The project will make significant contributions to finance research by shedding new insights on market dynamics and creating a new stream of models and modelling techniques. Academics, practitioners and regulators can use the new approach to better analyse the Australian financial market and improve its efficiency.Read moreRead less
CCC method: new applications to electron scattering from atoms and molecules. Achievement of the stated aims will be of enormous benefit to industry
and laboratory research because at the present time no reliably accurate
models exist for the range of the required scattering parameters. The
modelling work will result in development of new software packages for
supercomputers and will provide training for research associates, PhD
and Honours students in an area where Australian theorists are ....CCC method: new applications to electron scattering from atoms and molecules. Achievement of the stated aims will be of enormous benefit to industry
and laboratory research because at the present time no reliably accurate
models exist for the range of the required scattering parameters. The
modelling work will result in development of new software packages for
supercomputers and will provide training for research associates, PhD
and Honours students in an area where Australian theorists are
preeminent.Read moreRead less