Introduction:
Appearance
Predictions of reactions are now possible using computational chemistry.
Indeed, by using a molecular modelling, we are able to accurately model many aspects of organic structures and reactivity which appears to be extremely useful. Modelling can be made using Molecular Mechanics. This tool is particularly useful for studying specific properties of molecules such as strain, steric effects, stereoselectivity or conformation in an accurate manner.
The main purpose of this module is to use Molecular Mechanics
to predict and get a better understanding of the reactivity and the specificity of specific reactions.