Documents

• Basis Sets -- Overview of basis sets used in ab initio quantum calculations
• C vs. FORTRAN -- Transcript of a discussion from the Computational Chemistry Mailing List about the pros and cons of using C or FORTRAN for computational chemistry programs
• Cartesian to Internal -- Synpsis of one CCL discussion.
• Computational chemistry topics and visualization of ab initio results for water molecule courtesy of David Young at dyoung@asc.edu
• Quick Reference Guide to Computational Chemistry Acronyms, Methods, Parameters, Accuracy, and Software by Ernie Chamot.
• Courseware -- An overview of the computational chemistry course at the University of Minnesota
• Overview of Density Functional Theory as well as some notes on Density Functional Theory software.
• Drug Designer's Guide -- A short overview of methods used in Computer-Aided Drug Design
• EHT Bibliography
• High Performance Fortran -- A description of the High Performance Fortran standard
• Molecular Graphics Packages in March, 1994.
• MOPAC 6 manual.
• Protein Data Bank -- Format of Protein Data Bank structure file and lists of available structures in the Protein Data Bank
• A Survey of CCL users in the summer of 1994.
• ACS COMP News -- Old News from the COMP Division of the American Chemical Society

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