Computational Chemistry: Methods and Applications

What it covers

In this unit, students will study computational chemistry and advanced organic chemistry, with particular emphasis on applications and reliability, as well as correlation between measurement and insight of physical properties of organic molecules and their structures. Computational chemistry package Gaussian will be a tool in this subject. This unit aims to introduce in a simple way of the hierarchy of computational chemistry tools used by organic chemists for searching for, rationalising and predicting structure and reactivity of organic and bio-organic molecules. This will broaden their expertise in the chemical sciences and prepare them for more advanced study in chemistry.

Assessment

When and where