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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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101. Introduction to Relativistic Quantum Chemistry
Lecture notes for a course taught at the University of Helsinki.
http://www.chem.helsinki.fi/Education/RQC
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Rating: [0.00] Votes: [0] Hits: [116] | May 7, 2006

102. Relativistic Theory of Atoms and Molecules
Searchable database of journal articles focusing largely (but not exclusively) on relativistic ab initio quantum chemical calculations.
http://www.csc.fi/rtam/
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Rating: [0.00] Votes: [0] Hits: [114] | May 7, 2006

103. 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
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Rating: [0.00] Votes: [0] Hits: [113] | May 7, 2006

104. Znamenskiy, Vasiliy S.
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html
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Rating: [0.00] Votes: [0] Hits: [113] | May 7, 2006

105. Thiel, Walter
Ab initio, density functional and semiempirical methods; QM/MM simulations. (Max Planck Institute for Bioinorganic Chemistry)
http://www.mpi-muelheim.mpg.de/kofo/institut/arbeitsbereiche/thiel/english/thiel_e.html
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Rating: [0.00] Votes: [0] Hits: [111] | May 7, 2006

106. Carter, Emily A.
Ab initio quantum chemistry and ab initio molecular dynamics, with an emphasis on condensed phases (UCLA).
http://www.chem.ucla.edu/carter/
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Rating: [0.00] Votes: [0] Hits: [107] | May 7, 2006

107. First Principles Research
Ab initio quantum chemistry and computational studies of superconductors.
http://www.firstprinciples.com/
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Rating: [0.00] Votes: [0] Hits: [106] | May 7, 2006

108. McCammon, J. Andrew
Simulations of biochemical reactions in solution, in proteins, and at membrane interfaces through statistical and quantum mechanics (University of California at San Diego).
http://mccammon.ucsd.edu/
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Rating: [0.00] Votes: [0] Hits: [106] | May 7, 2006

109. Journal of Computer Aided Chemistry
Published by the Division of Chemical Information and Computer Science, The Chemical Society of Japan.
http://www.chemistry.or.jp/journals/jcac/
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Rating: [0.00] Votes: [0] Hits: [103] | May 7, 2006

110. NIH Center for Molecular Modeling
Supplier of molecular modeling resources and expertise to the NIH research community. Development and application of theoretical and computational methodologies, from ab initio calculations of small organic molecules to molecular mechanics simulations of macromolecular systems.
http://cmm.cit.nih.gov/modeling/
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Rating: [0.00] Votes: [0] Hits: [101] | May 7, 2006

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