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Computational Chemistry
Computational chemistry is a branch of chemistry that uses the results of theoretical chemistry incorporated into efficient computer programs to calculate the structures and properties of molecules and solids.
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1. Journal of Molecular Modeling
Publishes articles on life science modeling (including QSAR, data mining/bioinformatics, structure and substructure search), materials modeling, new methods, and computational chemistry in an interdisciplinary manner and within very short publication times.
http://www.springer.com/sgw/cda/frontpage/0,11855,4-0-70-1116860-detailsPage%253Djournal%257Cdescription%257Cdescription,00.html
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Rating: [5.33] Votes: [70] Hits: [123] | May 7, 2006

2. Merz, Jr., Kenneth M.
Theoretical studies of biomolecules. The Merz group is a member of the AMBER development team (Pennsylvania State University).
http://merz.chem.psu.edu/
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Rating: [5.50] Votes: [64] Hits: [102] | May 7, 2006

3. Baik Group
Computational chemistry and molecular modeling.
http://mypage.iu.edu/~mbaik/home.htm
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Rating: [0.00] Votes: [0] Hits: [145] | May 7, 2006

4. Clark, Tim
Development and application of molecular orbital methods, particularly semiempirical methods and the VAMP program. (Erlangen University)
http://www.ccc.uni-erlangen.de/clark/
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Rating: [0.00] Votes: [0] Hits: [140] | May 7, 2006

5. Journal of Theoretical and Computational Chemistry (JTCC)
Covers the development of fundamental theoretical methodology and computational algorithms to extensive numerical applications to specific scientific problems ranging from gas-phase to condensed phase, and to biological systems.
http://www.worldscinet.com/jtcc/jtcc.shtml
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Rating: [0.00] Votes: [0] Hits: [139] | May 7, 2006

6. Molecular Models for Biochemistry
Pictures of the molecular structure of amino acids. Also features common properties of all amino acids, peptide structures, and a protein structure quiz.
http://www.bio.cmu.edu/Courses/BiochemMols/BCMolecules.html
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Rating: [0.00] Votes: [0] Hits: [136] | May 7, 2006

7. Morrison, Carole
Application of plane-wave density functional theory to molecular systems (University of Edinburgh).
http://www.ed.ac.uk/~cam01
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Rating: [0.00] Votes: [0] Hits: [130] | May 7, 2006

8. Molecular Modeling Group (RSC)
One of the Specialist Interest Groups of the Royal Society of Chemistry. Links to research groups, meeting reports, software archives, selected articles.
http://www.rsc.org/Membership/Networking/InterestGroups/MolecularModelling/
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Rating: [0.00] Votes: [0] Hits: [120] | May 7, 2006

9. Computational Chemistry List
A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
http://www.ccl.net/chemistry/
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Rating: [0.00] Votes: [0] Hits: [119] | May 7, 2006

10. ACS Division of Computers in Chemistry
A unit of the American Chemical Society. Includes newsletters, programs of past and future division meetings, and information on awards presented by the division.
http://membership.acs.org/C/COMP/
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Rating: [0.00] Votes: [0] Hits: [107] | May 7, 2006

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