Computational Advances in Organic Chemistry

Computational Chemistry is the area of chemistry which involves the use of computer simulation to predict, understand, or explain chemical reactivity and solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids.

  • Molecular Modelling
  • Non-Visual Molecular Shape Analysis
  • New Opportunities for the Organic Chemist in the Computer Age
  • Fundamentals of Molecular Orbital Computations

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