CCL documents.html

About CCL Rules, Instructions, Contributing Material, Supporting, About Us, Resources Software Archive, List Archive, Data Archives, Document Archives, Search CCL Text Search, RegExp Search, Announcements Conferences, Jobs, Resumes, Links Topics, Data, Software Sites, Hardware Sites, Institutions, Listsoftsites, Search Engines, E-mail us Send E-mail to CCL Administrators,

Documents This page contains several documents relating to computational chemistry. The following documents are available: 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

[ CCL Home Page ]
[ About CCL ] [ Resources ] [ Search CCL ] [ Announcements ] [ Links ] [ E-mail us ]
[ Raw Version of this page ]