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Welcome to the Computational Chemistry Website

In 1888, J. L. Gay-Lussac mentioned that “we are perhaps not far remote from the time when we shall be able to submit the bulk of chemical phenomena to calculation”.

John A Pople, the Nobel Prize winner in Chemistry 1998, mentioned that “…we celebrate the fact that mathematics has invaded chemistry, that by means of theoretical calculations we can predict a large variety of chemical phenomena…”.

Today, computational chemistry has become extremely useful and it is widely used in teaching and industrial research. Computational chemistry is giving rise to a wide range of possibilities due to explosive increase in computer power and software capabilities.

Before the year 2000, computational chemistry was not known at the Department of Chemistry, Faculty of Science, University of Mauritius. However, to date, computational chemistry is performing satisfactorily both at teaching and research levels.

Last Updated on Monday, 09 March 2015 11:07