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Computational Chemistry



Computational Chemistry (7.5 hp)


The course will start on tuesday May 4 2010 at 13.15 in room Bikupan (3B:616) in the B-building.

The exam is on thursday June 10 at 10.15 in Bikupan. Pocket calculator is allowed (as well as SI Chemial Data and Physics Handbook, although you will not need those).

The schedule can be found here. To schedule


Course description. Course description

IFM′s courses. To the IFM course list

LiTH′s study guide. To the study guide

Kursplatsen It′s Learning Till Its Learning

Literature and reading list

P. Atkins och J. de Paula: "Atkins' Physical Chemistry"
G. H. Grant och W. G. Richards: "Oxford Chemistry Primers: Computational Chemistry"
Extra reading: Andrew R. Leach: "Molecular Modelling"

Part 1 and Part 2.


The exercises are here. Till schema


Lab instructions can be found here. Till schema


An MD simulation of an acidic water solution.


Updated: 2010-05-03 Webmaster: lars @