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Dziękujemy, Jerzy Kowalski

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Chemistry & Life Science

Newsletter

Education

Computer simulations allow easy to understand visualizations of chemistry at the atom/molecule level, where direct observation is available by few exotic experimental techniques, while being crucial for understanding. Properties and reactions of compounds too dangerous or expensive for students to handle can be explored at a convenience of one’s own desk.

Education

Computer simulations allow easy to understand visualizations of chemistry at the atom/molecule level, where direct observation is available by few exotic experimental techniques, while being crucial for understanding. Properties and reactions of compounds too dangerous or expensive for students to handle can be explored at a convenience of one’s own desk.
  • Do conformational analyses and visualize structures also in 3D stereo on compatible hardware in SCIGRESS.
  • Visualize orbitals and electron densities in SCIGRESS and ADF.
  • Explore reactions, including transition state behavior, visualize bond breaking and forming in SCIGRESS.
  • Explore the basics of IR, NMR and UV spectroscopies in SCIGRESS.
  • Learn the basic application of classical mechanics and quantum modeling in SCIGRESS.
  • Perform advanced Density Functional Theory simulations in ADF.