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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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51. Agrafiotis, Dimitris K.
Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.
http://www.dimitris-agrafiotis.com/
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Rating: [0.00] Votes: [0] Hits: [175] | May 7, 2006

52. Theoretical Chemistry Division, Royal Institute of Technology (KTH), Sweden
Ab initio quantum chemistry, molecular response properties, and nonlinear optical properties.
http://www.theochem.kth.se/
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Rating: [0.00] Votes: [0] Hits: [175] | May 7, 2006

53. Woo Research Group, University of Ottowa
Group specializes in the study of catalyst modeling and computational chemistry. Page includes information about research goals, current projects, list of publications and facility resources.
http://vivaldi.chem.uwo.ca/
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Rating: [0.00] Votes: [0] Hits: [174] | May 7, 2006

54. Molecular Mechanics
A tutorial published by the Center for Molecular Modeling of the U.S. National Institutes of Health.
http://cmm.info.nih.gov/modeling/guide_documents/molecular_mechanics_document.html
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Rating: [0.00] Votes: [0] Hits: [173] | May 7, 2006

55. Computational Biology and Chemistry
Publishes original papers and reviews in all areas of computational life sciences, such as nucleic acid and protein sequence research, molecular evolution, molecular genetics (functional genomics and proteomics), theory and practice of either biology-specific or chemical-biology-specific modeling, and structural biology of nucleic acids and proteins.
http://www.sciencedirect.com/science/journal/14769271
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Rating: [0.00] Votes: [0] Hits: [172] | May 7, 2006

56. Cambridge University Silicon Graphics Teaching Laboratory
An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
http://www.ch.cam.ac.uk/SGTL/
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Rating: [0.00] Votes: [0] Hits: [171] | May 7, 2006

57. 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
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Rating: [0.00] Votes: [0] Hits: [169] | May 7, 2006

58. Jemmis, E. D
Applied theoretical chemistry, structure and reactivity of organic and organometallic molecules and clusters using electronic structure methods (University of Hyderabad, India).
http://202.41.85.161/~jemmis/
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Rating: [0.00] Votes: [0] Hits: [168] | May 7, 2006

59. Jurs, Peters C.
Computer-assisted methods for investigating relationships linking molecular structures of organic compounds with their physicochemical properties or biological activities. (Penn State University)
http://research.chem.psu.edu/pcjgroup/
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Rating: [0.00] Votes: [0] Hits: [168] | May 7, 2006

60. Constans, Pere
Molecular similarity theory, quantum chemistry, and numerical algorithms.
http://www.molspaces.com
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Rating: [0.00] Votes: [0] Hits: [167] | May 7, 2006

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