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1. Computational Chemistry Roadmap Summary

Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry.
http://www.oit.doe.gov/chemicals/visions_compchemistry.shtml - 25-08-2002 - [detailed information]
Rating: [5.00] Votes: [2252]

2. Introduction to Relativistic Quantum Chemistry

Lecture notes for a course taught at the University of Helsinki.
http://www.chem.helsinki.fi/Education/RQC - 07-01-2000 - [detailed information]
Rating: [5.00] Votes: [1437]

3. 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/ - 19-03-2002 - [detailed information]
Rating: [5.00] Votes: [630]

4. 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 - 14-02-2002 - [detailed information]
Rating: [5.00] Votes: [2046]

5. Sicklist Database

List of molecules for which various quantum chemistry methods give poor agreement with experimental results. Also recommends alternative computational methods that give better result
http://srdata.nist.gov/sicklist/ - 19-10-2000 - [detailed information]
Rating: [5.00] Votes: [1837]

6. 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 - 24-05-2001 - [detailed information]
Rating: [5.00] Votes: [1080]

7. 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 - 20-11-2003 - [detailed information]
Rating: [4.00] Votes: [1049]

8. 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/ - 01-01-200 - [detailed information]
Rating: [0.00] Votes: [0]

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