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Field of Research : Quantum Chemistry
Australian State/Territory : ACT
Research Topic : primary non-function
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  • Funded Activity

    Discovery Projects - Grant ID: DP0557430

    Funder
    Australian Research Council
    Funding Amount
    $280,000.00
    Summary
    Computer-Aided Design of Agents for Controlling Free-Radical Polymerisation. This project will provide cutting-edge fundamental research of importance to free-radical polymerisation. This process is the basis of a multi-billion dollar industry worldwide, and is very important to the Australian economy. The project will help to expand the applicability of the reversible addition fragmentation chain transfer (RAFT) polymerisation process, which is a significant new CSIRO-invented method for contro .... Computer-Aided Design of Agents for Controlling Free-Radical Polymerisation. This project will provide cutting-edge fundamental research of importance to free-radical polymerisation. This process is the basis of a multi-billion dollar industry worldwide, and is very important to the Australian economy. The project will help to expand the applicability of the reversible addition fragmentation chain transfer (RAFT) polymerisation process, which is a significant new CSIRO-invented method for controlling free-radical polymerisation. In doing this, the project will facilitate the design and development of a range of new polymer products, with applications in biotechnology and nanotechnology. This research will help to keep Australia at the forefront of this important field.
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    Funded Activity

    Discovery Projects - Grant ID: DP0208952

    Funder
    Australian Research Council
    Funding Amount
    $187,118.00
    Summary
    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.
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    Funded Activity

    ARC Future Fellowships - Grant ID: FT100100320

    Funder
    Australian Research Council
    Funding Amount
    $919,832.00
    Summary
    Understanding and controlling the stereochemistry of free-radical polymerisation. The stereochemistry of a molecule, which relates to the relative spatial arrangement of its atoms, can have a profound effect on its physical and chemical properties. This project will use a computer-guided experimental approach to design new methods for controlling the stereochemistry of the polymers formed in free-radical polymerisation.
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    Funded Activity

    Discovery Projects - Grant ID: DP150104454

    Funder
    Australian Research Council
    Funding Amount
    $409,900.00
    Summary
    Controlling polymer microstructure with structured Lewis acids. Radical polymerisation is the most commercially important polymer process, favoured by industry for its broad scope and relatively low cost and environmental impact. However, its use in the synthesis of 'smart materials' for biomedical applications, molecular electronics and high-performance engineering applications has been hampered by the lack of microstructural control. This project aims to use a complementary combination of theo .... Controlling polymer microstructure with structured Lewis acids. Radical polymerisation is the most commercially important polymer process, favoured by industry for its broad scope and relatively low cost and environmental impact. However, its use in the synthesis of 'smart materials' for biomedical applications, molecular electronics and high-performance engineering applications has been hampered by the lack of microstructural control. This project aims to use a complementary combination of theory and experiment to develop novel structured Lewis acids for controlling the stereochemistry in free-radical polymerisation, and to utilise the recently discovered propagation catalysis conferred by simple Lewis acids to minimise defect structures and thereby improve the thermal and photostability of polymers.
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    Funded Activity

    Australian Laureate Fellowships - Grant ID: FL170100041

    Funder
    Australian Research Council
    Funding Amount
    $2,327,500.00
    Summary
    Controlling chemical reactions via pH-switchable electrostatic catalysis. This project aims to establish a new approach to catalysis using the electrostatic effects of pH-switchable, charged functional groups. Utilising simple homogeneous catalysts and polymer-supported enzyme-mimicking catalysts, a wide range of target reactions will be studied. The expected outcomes of the project will include a new approach to the design and optimisation of several new classes of catalyst for assembling compl .... Controlling chemical reactions via pH-switchable electrostatic catalysis. This project aims to establish a new approach to catalysis using the electrostatic effects of pH-switchable, charged functional groups. Utilising simple homogeneous catalysts and polymer-supported enzyme-mimicking catalysts, a wide range of target reactions will be studied. The expected outcomes of the project will include a new approach to the design and optimisation of several new classes of catalyst for assembling complex molecules and materials. The project also offers a unique opportunity to train the next generation of chemists in the principles of computer-aided chemical design. The catalysts developed in this project will be able to accelerate and control the chemical reactions used in the synthesis of pharmaceuticals and materials, with significant practical benefits to industry.
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    Funded Activity

    Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0882493

    Funder
    Australian Research Council
    Funding Amount
    $700,000.00
    Summary
    High-accuracy spectroscopy under extreme conditions: combining novel synchrotron and laboratory-based spectroscopy. This project aims at maintaining the leading position of Australia in nationally important fields such as ore and environmental geology, ore processing and metallurgy, nano- and bio-technology. This project aims to establish an integrated set of state-of-the-art, often unique and revolutionary new tools, taking in particular advantage of local innovation in instrumentation and spec .... High-accuracy spectroscopy under extreme conditions: combining novel synchrotron and laboratory-based spectroscopy. This project aims at maintaining the leading position of Australia in nationally important fields such as ore and environmental geology, ore processing and metallurgy, nano- and bio-technology. This project aims to establish an integrated set of state-of-the-art, often unique and revolutionary new tools, taking in particular advantage of local innovation in instrumentation and spectroscopy theory, of the investment in major facilities (Australian Synchrotron). By improving cross-disciplinary links among research groups interested in in-situ spectroscopy (Earth Sciences, Physics, Chemistry, Biological Sciences, Biochemistry, Biomedicine, Engineering), this application will results in major scientific and industrial advances.
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