Theoretical chemistry

Theoretical chemistry is the method that uses classical mechanics, quantum mechanics, and statistical mechanics to describe the structures and dynamics of chemical systems and to correlate, understand, and predict their thermodynamic and kinetic properties. Theoretical chemistry may be roughly subdivided into the study of chemical structure and the study of chemical dynamics. The former includes studies of: (a) electronic structure, potential energy surfaces, and force fields; (b) vibrational-rotational motion; and (c) equilibrium properties of condensed-phase systems and macro-molecules. 

  • Track 1-1 Theoretical Chemical Kinetics
  • Track 2-2 Molecular Modelling
  • Track 3-3 Molecular Dynamics
  • Track 4-4 Cheminformatics
  • Track 5-5 Molecular Mechanics
  • Track 6-6 Mathematical Chemistry

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