Mathematica
materials for Chemistry 1998-99
The Maths Lab
Maths Lab Reference Guide
Lab 1: Introduction to the Maths Lab - Part 1
Full text of the notes for this lab
Lab 2: Introduction to the Maths Lab - Part 2
Full text of the notes for this lab (WARNING: large
file - you may want to download the zipped version)
Files for this lab:
expt1.dat,
LiveGraphics3D.nb
(test file for LiveGraphics
Java program)
Lab 3: Position and translation vectors - The Crystal Lattice
Full text of the notes for this lab
Files for this lab:
notebook of Mathematica inputs;
LiveGraphics3D.nb
(test file for LiveGraphics
Java program).
Lab 4: Chemisorption onto a crystal surface
Full text of the notes for this lab
File for this lab (NOT REQUIRED IN CHEMISTRY COMPUTER LABS):
Arrow3D.m (to install this on your own computer,
the easiest place to put it is in the same location as your working
notebook, and then do "<<Arrow3D.m" to load it, in place of the "<<"
command given in the notes)
Lab 5: Ionization, chemisorption and surface migration - Energy
calculations
Full text of the notes for this lab
File for this lab:
notebook of Mathematica inputs.
Lab 6: A Newtonian model for a simple ionic reaction (double session)
Full text of the notes for this lab
File for this lab:
notebook of Mathematica inputs.
Lab 7: Reaction kinetics and differential equations (double session)
Full text of the notes for this lab
Lab 8: Exact differentials and line integrals
Full text of the notes for this lab
Second year: Quantum Mechanics activity
The Hartree-Fock self-consistent field approximation (Mathematica notebook)
Materials for the current academic year
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This page last modified on 10 September 1999.