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Computational Chemistry Comparison and Benchmark Database Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods. http://srdata.nist.gov/cccbdb/ Nist.gov  ~   Site Info   Whois   Trace Route   RBL Check   Modern Methods and Algorithms of Quantum Chemistry: Proceedings (Second Edition) From a 2000 conference sponsored by the John von Neumann Institute for Computing. http://www.fz-juelich.de/nic-series/Volume3/Volume3.html Fz-juelich.de  ~   Site Info   Whois   Trace Route   RBL Check   Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations From a 2000 conference sponsored by the John von Neumann Institute for Computing. http://www.fz-juelich.de/nic-series/Volume2/Volume2.html Fz-juelich.de  ~   Site Info   Whois   Trace Route   RBL Check   Linear Scaling Electronic Structure Methods Lecture notes from a 2002 conference sponsored by the Institute for Pure and Applied Mathematics at the University of California, Los Angeles. http://www.ipam.ucla.edu/programs/es2002/ Ucla.edu  ~   Site Info   Whois   Trace Route   RBL Check   Introduction to Relativistic Quantum Chemistry Lecture notes for a course taught at the University of Helsinki. http://www.chem.helsinki.fi/Education/RQC Helsinki.fi  ~   Site Info   Whois   Trace Route   RBL Check   Simplified Introduction to Ab Initio Basis Sets. Terms and Notation An article by Jan K. Labanowski. http://www.ccl.net/cca/documents/basis-sets/basis.html Ccl.net  ~   Site Info   Whois   Trace Route   RBL Check   Quantum Simulations of Complex Many-Body Systems: Lecture Notes From a 2002 conference sponsored by the John von Neumann Institute for Computing. http://www.fz-juelich.de/nic-series/volume10/volume10.html Fz-juelich.de  ~   Site Info   Whois   Trace Route   RBL Check   Quantum Simulations of Complex Many-Body Systems: Poster Presentations From a 2002 conference sponsored by the John von Neumann Institute of Computing. http://www.fz-juelich.de/nic-series/volume11/volume11.html Fz-juelich.de  ~   Site Info   Whois   Trace Route   RBL Check   Gaussian Basis Set Free download of many basis sets in different formats. http://www.emsl.pnl.gov/forms/basisform.html Pnl.gov  ~   Site Info   Whois   Trace Route   RBL Check   Semiempirical Methods An overview of the theory, equations, and performance of the methods based on neglect of differential overlap, with emphasis on AM1, MNDO, and PM3. http://www.cup.uni-muenchen.de/oc/zipse/lv18099/semi1.html Uni-muenchen.de  ~   Site Info   Whois   Trace Route   RBL Check