Xarxa de Referencia en Quimica Teorica i Computacional de Catalunya
Services


Technologies

XRQTC

  • Heterogeneous Catalysis
  • Homogeneous Catalysis
  • Biocatalysis and design of new enzymes
  • Design and optimization of catalyzers for enantioselective processes
  • Modeling of silica supported catalyst as an additional tool for catalyst characterization and optimization

 

  • Computer aided design of drugs and flavor enhancers
  • Database of synthetic aminoacids for nanobiology nd nanomedicine applications
  • Optimization of molecules with pharmacological activity
  • Biomolecular recognition in drug design
  • Design of chelating compounds with potential applications in Alzheimer’s disease

 

  • Nanotechnology applications
  • Study and forecast of new materials
  • Polimorfism prediction in crystal systems of technological interest
  • Optimization of processes and materials related to the environment and nanotechnology using molecular modelling
  • Software development
  • Aplication of modelling and simulation techniques for improving synthetic processes
  • Forecast and evaluation of materials photochemical properties
  • Silicon materials modeling: zeolites, argyles, crystal and amorphous silicon
  • Dynamic and kinetic of gas phase reactions
  • Continuous measurements of form and symmetry
  • Calculus of  non-linear optic properties

 

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XRQTC Events

August 2010 September 2010 October 2010
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