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.

  • Computing Physical Properties
  • Analyzing Organic Reactions
  • Computational methods
  • Conformational Searching
  • Visualizing Electronic Structures and Electrostatic Potentials
  • Visualizing Molecular Orbitals
  • Analyzing Reaction Thermodynamics
  • Predicting Spectra (IR, NMR, and UV/Vis)
  • Transition-state modelling
  • Building and Characterizing Reactive Intermediates
  • Interpreting Computational Aromaticity and Antiaromaticity
  • Stereocontrol in Organic Reactions
  • Molecular Modelling for Organic Chemistry

Related Conference of Computational Advances in Organic Chemistry

Computational Advances in Organic Chemistry Conference Speakers