Mod:lectures

See also: Timetable, Laptop use, Intro lecture, Programs, Module 1, Module 2, Module 3, Writing up

Computational Chemistry Course: Introductory lectures and supporting materials

Because some aspects of molecular modelling have not hitherto appeared in 1st/2nd year lectures, they will be introduced through the QM3 course new for 2014-2015. This will help you understand the background to the experiments, and to produce a better informed write up. Additional materials are available here.

General

• Why computational chemistry and molecular modelling?

The three topics on offer are listed below:

Module 2

• Introduction to the use of basis sets and methods

Module 3

• Introduction to the technique of geometry optimisation and frequency analysis

Other Materials

1. Link to iPad Wiki editor and support page

If you come across any Web-based materials to which links can be usefully placed on this page, please do not hesitate to edit this page and add them yourself.

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See also: Timetable, Laptop use, Intro lecture, Programs, Module 1, Module 2, Module 3, Writing up