The 1998 Nobel Price in Chemistry was awarded to W. Kohn and J. A. Pople, two prominent figures in the Computational Chemistry field.

Here is a list (in no order whatsoever) over places which cover material relevant to Computational Chemistry at an introductory level:

• Jack Simons Self-guided Introduction to Theoretical Chemistry provides a very nice overview of the field.
• The Computational Chemistry List (CCL) is a forum for discussions and news related to all areas of computational chemistry.
• ChemFinder.
• Silicon Graphics Teaching Laboratory (SGTC) at Cambridge University.
• The homepage for Molecular Mechanics across Chemistry.
• Oliver Smarts notes on Protein Simulation.
• The ACCVIP Demonstration modules.
• The Lecture Notes at the CCQC at University of Georgia.
• The CMC Modelling Guide.
• Peter Schreiner's Computational Chemistry course material.
• The Molecular Monte Carlo homepage.
• Notes and problem sets for the Computational Chemistry course at the University of Minnesota.
• Hendrik Zipse's notes for a Computational Chemistry course at the University of Munich.
• R. C. Millikans acetylcholin case study.
• Leif Laaksonen's YARL.
• The CMC Modelling Guide at the University of Utrecht.
• The MSI modelling notes.
• The NIC Quantum Chemistry notes.
• The NetSci list of computational chemistry articles.
• The UMDNJ Molecular Modelling home page.
• The Georgia State University has a large set of modelling exercises .
• The Molecular Modelling Group at DISAABA has a list over many useful Computational Chemistry Tutorials.
• Michael Colvin's Quantum Chemistry Notes.
• Furio Ercolessi's Molecular Dynamics Primer.
• Lecture notes for the Molecular Modelling course at UCSD.
• David Young's Selected Topics in Computational Chemistry (also available as a real book from Wiley).
• NIH Molecular Modelling Guide.
• The NIST Computational Chemistry Comparison and Benchmark Database site, containing comparisons between experimental and calculated data, including comparisons between theoretical methods.
• The EMSL Computational Results DataBase and Ab Initio Benchmark Report.
• William Polik's WebMO site.
• The Journal of Chemical Computing Group.
• The Wilson-Squire group's Chemistry Visualized.
• An introduction to fundamental concepts, like Lewis structures and polarity: Taking A Closer Look at Molecular Modeling.
• Bader's tutorial on "Atoms In Molecules" (AIM).
• Kieron Burke's tutorial on DFT.
• The PDB deposite for macromolecular structures.

  A couple of places having lots of computational chemistry related links:

• Department of Chemistry at Imperial College, UK.
• Soaring Bears Science Resources.